(2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

C198H208N16O29S11 — CID 159984151

About (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

(2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 159984151) has the molecular formula C198H208N16O29S11 and a molecular weight of 3628.66 g/mol. Its IUPAC name is (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
• PubChem CID: 159984151
• Molecular Formula: C198H208N16O29S11
• Molecular Weight: 3628.66 g/mol
• Exact Mass: 3625.22
• IUPAC Name: (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
• SMILES: CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C/C=C(/C#N)C(=O)O)c(=O)oc31.CCCCCCCCCCCCCCCCCCN1c2ccccc2SC1/C=C/C1SC(=S)N(CC(=O)O)C1=O.CCN(CC)c1ccc2cc(/C=C/C=C(/C#N)C(=O)O)c(=O)oc2c1.CCN(CC)c1ccc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(=O)oc2c1.CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CC(=O)[O-])cc1.CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1
• InChI: InChI=1S/C33H30N2O4S.C32H48N2O3S3.C31H28N2O4S2.C25H26N2O4.C20H22N2O3S2.C19H18N2O5S2.C19H18N2O4.C19H18N2O2S/c1-32(2)11-13-35-14-12-33(3,4)27-28(35)25(32)17-21-16-24(31(38)39-29(21)27)19-5-7-20(8-6-19)26-10-9-23(40-26)15-22(18-34)30(36)37;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-26-20-17-18-21-27(26)39-29(33)23-22-28-31(37)34(25-30(35)36)32(38)40-28;1-30(2)9-11-33-12-10-31(3,4)25-26(33)21(30)15-17-14-20(29(36)37-27(17)25)22-7-8-24(39-22)23-6-5-19(38-23)13-18(16-32)28(34)35;1-24(2)8-10-27-11-9-25(3,4)19-20(27)18(24)13-17-12-15(23(30)31-21(17)19)6-5-7-16(14-26)22(28)29;1-21(2)17-11-8-16(9-12-17)10-13-20-22(14-5-15-27(23,24)25)18-6-3-4-7-19(18)26-20;1-3-20(4-2)13-6-5-11-7-12(18(25)26-14(11)9-13)8-15-17(24)21(10-16(22)23)19(27)28-15;1-3-21(4-2)16-9-8-13-10-14(19(24)25-17(13)11-16)6-5-7-15(12-20)18(22)23;1-20(2)15-10-7-14(8-11-15)9-12-18-21(13-19(22)23)16-5-3-4-6-17(16)24-18/h5-10,15-17H,11-14H2,1-4H3,(H,36,37);17-18,20-23,28-29H,2-16,19,24-25H2,1H3,(H,35,36);5-8,13-15H,9-12H2,1-4H3,(H,34,35);5-7,12-13H,8-11H2,1-4H3,(H,28,29);3-4,6-13H,5,14-15H2,1-2H3;5-9H,3-4,10H2,1-2H3,(H,22,23);5-11H,3-4H2,1-2H3,(H,22,23);3-12H,13H2,1-2H3/b22-15+;23-22+;18-13-;6-5+,16-7-;;15-8+;6-5+,15-7-
• InChIKey: ICKVHOYJZAJAJD-IDFHOHNDSA-N
• XLogP: 39.97
• TPSA: 641.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 56
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3628.66
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?

The IUPAC name of (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (CID 159984151) is (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.

What is the SMILES notation for (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?

The canonical SMILES for (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc2)c(=O)oc31.CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(/C=C/C=C(/C#N)C(=O)O)c(=O)oc31.CCCCCCCCCCCCCCCCCCN1c2ccccc2SC1/C=C/C1SC(=S)N(CC(=O)O)C1=O.CCN(CC)c1ccc2cc(/C=C/C=C(/C#N)C(=O)O)c(=O)oc2c1.CCN(CC)c1ccc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(=O)oc2c1.CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CC(=O)[O-])cc1.CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1.

What is the InChIKey of (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?

The InChIKey is ICKVHOYJZAJAJD-IDFHOHNDSA-N. The full InChI is InChI=1S/C33H30N2O4S.C32H48N2O3S3.C31H28N2O4S2.C25H26N2O4.C20H22N2O3S2.C19H18N2O5S2.C19H18N2O4.C19H18N2O2S/c1-32(2)11-13-35-14-12-33(3,4)27-28(35)25(32)17-21-16-24(31(38)39-29(21)27)19-5-7-20(8-6-19)26-10-9-23(40-26)15-22(18-34)30(36)37;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-26-20-17-18-21-27(26)39-29(33)23-22-28-31(37)34(25-30(35)36)32(38)40-28;1-30(2)9-11-33-12-10-31(3,4)25-26(33)21(30)15-17-14-20(29(36)37-27(17)25)22-7-8-24(39-22)23-6-5-19(38-23)13-18(16-32)28(34)35;1-24(2)8-10-27-11-9-25(3,4)19-20(27)18(24)13-17-12-15(23(30)31-21(17)19)6-5-7-16(14-26)22(28)29;1-21(2)17-11-8-16(9-12-17)10-13-20-22(14-5-15-27(23,24)25)18-6-3-4-7-19(18)26-20;1-3-20(4-2)13-6-5-11-7-12(18(25)26-14(11)9-13)8-15-17(24)21(10-16(22)23)19(27)28-15;1-3-21(4-2)16-9-8-13-10-14(19(24)25-17(13)11-16)6-5-7-15(12-20)18(22)23;1-20(2)15-10-7-14(8-11-15)9-12-18-21(13-19(22)23)16-5-3-4-6-17(16)24-18/h5-10,15-17H,11-14H2,1-4H3,(H,36,37);17-18,20-23,28-29H,2-16,19,24-25H2,1H3,(H,35,36);5-8,13-15H,9-12H2,1-4H3,(H,34,35);5-7,12-13H,8-11H2,1-4H3,(H,28,29);3-4,6-13H,5,14-15H2,1-2H3;5-9H,3-4,10H2,1-2H3,(H,22,23);5-11H,3-4H2,1-2H3,(H,22,23);3-12H,13H2,1-2H3/b22-15+;23-22+;18-13-;6-5+,16-7-;;15-8+;6-5+,15-7-;.

What are the key properties of (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?

(2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 3628.66 g/mol, XLogP of 39.97, 56 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4E)-2-cyano-5-[7-(diethylamino)-2-oxochromen-3-yl]penta-2,4-dienoic acid;(2Z,4E)-2-cyano-5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)penta-2,4-dienoic acid;(E)-2-cyano-3-[5-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]thiophen-2-yl]prop-2-enoic acid;(Z)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(5E)-5-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate;3-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;2-[5-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 159984151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).