bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid

C50H30Cl2O16 — CID 160688745

About bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid

bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid (PubChem CID 160688745) has the molecular formula C50H30Cl2O16 and a molecular weight of 957.68 g/mol. Its IUPAC name is bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid.

Molecular Properties

• Compound Name: bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid
• PubChem CID: 160688745
• Molecular Formula: C50H30Cl2O16
• Molecular Weight: 957.68 g/mol
• Exact Mass: 956.09
• IUPAC Name: bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid
• SMILES: O=C(O)c1ccccc1C(=O)c1ccc(O)cc1O.O=C1OC2(c3ccc(O)cc3Oc3c2ccc2cc(O)c(Cl)cc32)c2ccccc21.O=C=O.O=C=O.Oc1cc2cccc(O)c2cc1Cl
• InChI: InChI=1S/C24H13ClO5.C14H10O5.C10H7ClO2.2CO2/c25-19-11-15-12(9-20(19)27)5-7-18-22(15)29-21-10-13(26)6-8-17(21)24(18)16-4-2-1-3-14(16)23(28)30-24;15-8-5-6-11(12(16)7-8)13(17)9-3-1-2-4-10(9)14(18)19;11-8-5-7-6(4-10(8)13)2-1-3-9(7)12;2*2-1-3/h1-11,26-27H;1-7,15-16H,(H,18,19);1-5,12-13H
• InChIKey: RPCZXOYBGFFDFQ-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 279.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	957.68
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid?

The IUPAC name of bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid (CID 160688745) is bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid.

What is the SMILES notation for bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid?

The canonical SMILES for bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(O)cc1O.O=C1OC2(c3ccc(O)cc3Oc3c2ccc2cc(O)c(Cl)cc32)c2ccccc21.O=C=O.O=C=O.Oc1cc2cccc(O)c2cc1Cl.

What is the InChIKey of bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid?

The InChIKey is RPCZXOYBGFFDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClO5.C14H10O5.C10H7ClO2.2CO2/c25-19-11-15-12(9-20(19)27)5-7-18-22(15)29-21-10-13(26)6-8-17(21)24(18)16-4-2-1-3-14(16)23(28)30-24;15-8-5-6-11(12(16)7-8)13(17)9-3-1-2-4-10(9)14(18)19;11-8-5-7-6(4-10(8)13)2-1-3-9(7)12;2*2-1-3/h1-11,26-27H;1-7,15-16H,(H,18,19);1-5,12-13H;;.

What are the key properties of bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid?

bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid has a molecular weight of 957.68 g/mol, XLogP of 9.24, 3 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2'-chloro-3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one;7-chloronaphthalene-1,6-diol;2-(2,4-dihydroxybenzoyl)benzoic acid is sourced from PubChem (CID 160688745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).