benzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

Systemtic Name: benzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one Openeye Name: benzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one CAS Name: benzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone IUPAC Name: benzenesulfonic acid; 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one Traditional Name: besylic acid; phenolphthalein Formula: C32H26O10S2 MolecularWeight: 634.67284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H14O4.2C6H6O3S/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;2*7-10(8,9)6-4-2-1-3-5-6/h1-12,21-22H;2*1-5H,(H,7,8,9)