bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium

C120H142O24S4+4 — CID 158350409

IUPACbis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
SMILESCC(C)(C)OC(=O)COc1ccc([S+](c2ccc(CC(C)(C)OOCC=O)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1.CC(C)COC(=O)Oc1ccc([S+](c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.CCC(=O)Cc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.COc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C36H45O9S.C33H39O9S.C30H37O3S.C21H21O3S/c1-34(2,3)43-32(38)24-40-27-11-17-30(18-12-27)46(29-15-9-26(10-16-29)23-36(7,8)45-42-22-21-37)31-19-13-28(14-20-31)41-25-33(39)44-35(4,5)6;1-22(2)21-37-29(34)38-23-9-15-26(16-10-23)43(27-17-11-24(12-18-27)39-30(35)41-32(3,4)5)28-19-13-25(14-20-28)40-31(36)42-33(6,7)8;1-8-23(31)21-22-9-15-26(16-10-22)34(27-17-11-24(12-18-27)32-29(2,3)4)28-19-13-25(14-20-28)33-30(5,6)7;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21/h9-21H,22-25H2,1-8H3;9-20,22H,21H2,1-8H3;9-20H,8,21H2,1-7H3;3-14,22H,15H2,1-2H3/q4*+1
InChIKeyGSFZWAYGNKOGBW-UHFFFAOYSA-N
MW2096.70 g/mol
LogP27.22
Rot. Bonds37

About bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium

bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium (PubChem CID 158350409) has the molecular formula C120H142O24S4+4 and a molecular weight of 2096.70 g/mol. Its IUPAC name is bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium.

Molecular Properties

Compound Namebis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
PubChem CID158350409
Molecular FormulaC120H142O24S4+4
Molecular Weight2096.70 g/mol
Exact Mass2094.88
IUPAC Namebis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
SMILESCC(C)(C)OC(=O)COc1ccc([S+](c2ccc(CC(C)(C)OOCC=O)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1.CC(C)COC(=O)Oc1ccc([S+](c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.CCC(=O)Cc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.COc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C36H45O9S.C33H39O9S.C30H37O3S.C21H21O3S/c1-34(2,3)43-32(38)24-40-27-11-17-30(18-12-27)46(29-15-9-26(10-16-29)23-36(7,8)45-42-22-21-37)31-19-13-28(14-20-31)41-25-33(39)44-35(4,5)6;1-22(2)21-37-29(34)38-23-9-15-26(16-10-23)43(27-17-11-24(12-18-27)39-30(35)41-32(3,4)5)28-19-13-25(14-20-28)40-31(36)42-33(6,7)8;1-8-23(31)21-22-9-15-26(16-10-22)34(27-17-11-24(12-18-27)32-29(2,3)4)28-19-13-25(14-20-28)33-30(5,6)7;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21/h9-21H,22-25H2,1-8H3;9-20,22H,21H2,1-8H3;9-20H,8,21H2,1-7H3;3-14,22H,15H2,1-2H3/q4*+1
InChIKeyGSFZWAYGNKOGBW-UHFFFAOYSA-N
XLogP27.22
TPSA287.40 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.70
LogP ≤ 527.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium with MolForge

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Related Compounds

bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)-(4-methylphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 161085613
bis(4-methoxyphenyl)-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium;trifluoromethanesulfonate
CID 22901802
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;[4-(1-tert-butylperoxyethenoxy)phenyl]-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;diphenyl-(4-propan-2-yloxyphenyl)sulfanium;(4-methylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;propan-2-one
CID 158088736
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
bis(4-methoxyphenyl)-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium;4-methylbenzenesulfonate
CID 22901787
(3-methoxyphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 22901762
ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
CID 142534707
2-methylpropyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 17149601
[4-(dimethylamino)phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 18381187
(4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 160736418
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902

Frequently Asked Questions

What is the IUPAC name of bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium?
The IUPAC name of bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium (CID 158350409) is bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium.
What is the SMILES notation for bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium?
The canonical SMILES for bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium is CC(C)(C)OC(=O)COc1ccc([S+](c2ccc(CC(C)(C)OOCC=O)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1.CC(C)COC(=O)Oc1ccc([S+](c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.CCC(=O)Cc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.COc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium?
The InChIKey is GSFZWAYGNKOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45O9S.C33H39O9S.C30H37O3S.C21H21O3S/c1-34(2,3)43-32(38)24-40-27-11-17-30(18-12-27)46(29-15-9-26(10-16-29)23-36(7,8)45-42-22-21-37)31-19-13-28(14-20-31)41-25-33(39)44-35(4,5)6;1-22(2)21-37-29(34)38-23-9-15-26(16-10-23)43(27-17-11-24(12-18-27)39-30(35)41-32(3,4)5)28-19-13-25(14-20-28)40-31(36)42-33(6,7)8;1-8-23(31)21-22-9-15-26(16-10-22)34(27-17-11-24(12-18-27)32-29(2,3)4)28-19-13-25(14-20-28)33-30(5,6)7;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21/h9-21H,22-25H2,1-8H3;9-20,22H,21H2,1-8H3;9-20H,8,21H2,1-7H3;3-14,22H,15H2,1-2H3/q4*+1.
What are the key properties of bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium?
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium has a molecular weight of 2096.70 g/mol, XLogP of 27.22, 37 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-methylpropoxycarbonyloxy)phenyl]sulfanium;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-oxobutyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;[4-[2-methyl-2-(2-oxoethylperoxy)propyl]phenyl]-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium is sourced from PubChem (CID 158350409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).