2-[1-(2-butylphenyl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2-butylphenyl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-butylphenyl)-2,3-dihydroxy-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-butylphenyl)-2,3-dihydroxy-3-oxopropyl]thio]benzoic acid IUPAC Name: 2-[1-(2-butylphenyl)-2,3-dihydroxy-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2-butylphenyl)-2,3-dihydroxy-3-keto-propyl]thio]benzoic acid Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H22O5S/c1-2-3-8-13-9-4-5-10-14(13)18(17(21)20(24)25)26-16-12-7-6-11-15(16)19(22)23/h4-7,9-12,17-18,21H,2-3,8H2,1H3,(H,22,23)(H,24,25)