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

Systemtic Name: 2-[1-(2-dodecylphenyl)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2,3-dihydroxy-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2,3-dihydroxy-3-oxopropyl]thio]benzoic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2,3-dihydroxy-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 2-[[2,3-dihydroxy-3-keto-1-(2-laurylphenyl)propyl]thio]benzoic acid Formula: C28H38O5S MolecularWeight: 486.66332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)O)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C28H38O5S/c1-2-3-4-5-6-7-8-9-10-11-16-21-17-12-13-18-22(21)26(25(29)28(32)33)34-24-20-15-14-19-23(24)27(30)31/h12-15,17-20,25-26,29H,2-11,16H2,1H3,(H,30,31)(H,32,33)