4-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butane-1-sulfonic acid

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butane-1-sulfonic acid Openeye Name: 4-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]butane-1-sulfonic acid CAS Name: 4-[6-hydroxy-4-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]-1-butanesulfonic acid IUPAC Name: 4-[6-hydroxy-4-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butane-1-sulfonic acid Traditional Name: 4-[6-hydroxy-4-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]butane-1-sulfonic acid Formula: C24H28O6S2 MolecularWeight: 476.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCS(=O)(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCS(=O)(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H28O6S2/c1-17(2)19-12-6-7-13-21(19)31-22-20(25)16-24(30-23(22)26,18-10-4-3-5-11-18)14-8-9-15-32(27,28)29/h3-7,10-13,17,26H,8-9,14-16H2,1-2H3,(H,27,28,29)