3-[2,3-bis(oxidanyl)-3-oxidanylidene-2-[3-(2-phenylhexoxy)phenyl]propyl]sulfanylbenzoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)-3-oxidanylidene-2-[3-(2-phenylhexoxy)phenyl]propyl]sulfanylbenzoic acid Openeye Name: 3-[2,3-dihydroxy-3-oxo-2-[3-(2-phenylhexoxy)phenyl]propyl]sulfanylbenzoic acid CAS Name: 3-[[2,3-dihydroxy-3-oxo-2-[3-(2-phenylhexoxy)phenyl]propyl]thio]benzoic acid IUPAC Name: 3-[2,3-dihydroxy-3-oxo-2-[3-(2-phenylhexoxy)phenyl]propyl]sulfanylbenzoic acid Traditional Name: 3-[[2,3-dihydroxy-3-keto-2-[3-(2-phenylhexoxy)phenyl]propyl]thio]benzoic acid Formula: C28H30O6S MolecularWeight: 494.5992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC1=CC=CC(=C1)C(CSC2=CC=CC(=C2)C(=O)O)(C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(COC1=CC=CC(=C1)C(CSC2=CC=CC(=C2)C(=O)O)(C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H30O6S/c1-2-3-9-22(20-10-5-4-6-11-20)18-34-24-14-8-13-23(17-24)28(33,27(31)32)19-35-25-15-7-12-21(16-25)26(29)30/h4-8,10-17,22,33H,2-3,9,18-19H2,1H3,(H,29,30)(H,31,32)