2-[1,2-bis(oxidanyl)-1-oxidanylidene-henicosan-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1,2-bis(oxidanyl)-1-oxidanylidene-henicosan-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(1,2-dihydroxy-2-oxo-ethyl)nonadecylsulfanyl]benzoic acid CAS Name: 2-[(1,2-dihydroxy-1-oxoheneicosan-3-yl)thio]benzoic acid IUPAC Name: 2-(1,2-dihydroxy-1-oxohenicosan-3-yl)sulfanylbenzoic acid Traditional Name: 2-[1-(1,2-dihydroxy-2-keto-ethyl)nonadecylthio]benzoic acid Formula: C28H46O5S MolecularWeight: 494.72684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(=O)O)O)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(=O)O)O)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C28H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(26(29)28(32)33)34-24-21-19-18-20-23(24)27(30)31/h18-21,25-26,29H,2-17,22H2,1H3,(H,30,31)(H,32,33)