21-oxidanylidene-21-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]henicosanoic acid

Systemtic Name: 21-oxidanylidene-21-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]henicosanoic acid Openeye Name: 21-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-21-oxo-henicosanoic acid CAS Name: 21-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-21-oxoheneicosanoic acid IUPAC Name: 21-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-21-oxohenicosanoic acid Traditional Name: 21-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-21-keto-heneicosanoic acid Formula: C31H51NO5S MolecularWeight: 549.80534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51NO5S/c33-29(32-27-21-18-19-22-28(27)38-26-20-25-31(36)37)23-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24-30(34)35/h18-19,21-22H,1-17,20,23-26H2,(H,32,33)(H,34,35)(H,36,37)