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

Systemtic Name: 20-oxidanylidene-20-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]icosanoic acid Openeye Name: 20-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-20-oxo-icosanoic acid CAS Name: 20-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-20-oxoeicosanoic acid IUPAC Name: 20-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-20-oxoicosanoic acid Traditional Name: 20-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-20-keto-arachidic acid Formula: C30H49NO5S MolecularWeight: 535.77876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C30H49NO5S/c32-28(31-26-20-17-18-21-27(26)37-25-19-24-30(35)36)22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-29(33)34/h17-18,20-21H,1-16,19,22-25H2,(H,31,32)(H,33,34)(H,35,36)