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

Systemtic Name: 4-[6-oxidanylidene-2-phenyl-3-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butane-1-sulfonic acid Openeye Name: 4-[3-(2-isopropylphenyl)sulfanyl-6-oxo-2-phenyl-3H-pyran-2-yl]butane-1-sulfonic acid CAS Name: 4-[6-oxo-2-phenyl-3-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]-1-butanesulfonic acid IUPAC Name: 4-[6-oxo-2-phenyl-3-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butane-1-sulfonic acid Traditional Name: 4-[6-keto-3-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]butane-1-sulfonic acid Formula: C24H28O5S2 MolecularWeight: 460.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2C=CC(=O)OC2(CCCCS(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2C=CC(=O)OC2(CCCCS(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H28O5S2/c1-18(2)20-12-6-7-13-21(20)30-22-14-15-23(25)29-24(22,19-10-4-3-5-11-19)16-8-9-17-31(26,27)28/h3-7,10-15,18,22H,8-9,16-17H2,1-2H3,(H,26,27,28)