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

Systemtic Name: 3-[1-(2-dodecoxyphenyl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 3-[1-(2-dodecoxyphenyl)-2,3-dihydroxy-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 3-[[1-(2-dodecoxyphenyl)-2,3-dihydroxy-3-oxopropyl]thio]benzoic acid IUPAC Name: 3-[1-(2-dodecoxyphenyl)-2,3-dihydroxy-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 3-[[2,3-dihydroxy-3-keto-1-(2-lauryloxyphenyl)propyl]thio]benzoic acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C28H38O6S/c1-2-3-4-5-6-7-8-9-10-13-19-34-24-18-12-11-17-23(24)26(25(29)28(32)33)35-22-16-14-15-21(20-22)27(30)31/h11-12,14-18,20,25-26,29H,2-10,13,19H2,1H3,(H,30,31)(H,32,33)