20-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylicosanoic acid

Systemtic Name: 20-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylicosanoic acid Openeye Name: 20-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanylicosanoic acid CAS Name: 20-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]eicosanoic acid IUPAC Name: 20-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanylicosanoic acid Traditional Name: 20-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]arachidic acid Formula: C30H50O4S2 MolecularWeight: 538.8456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C30H50O4S2/c31-29(32)23-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-35-27-21-17-18-22-28(27)36-26-20-24-30(33)34/h17-18,21-22H,1-16,19-20,23-26H2,(H,31,32)(H,33,34)