17-oxidanylidene-17-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]heptadecanoic acid

Systemtic Name: 17-oxidanylidene-17-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]heptadecanoic acid Openeye Name: 17-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-17-oxo-heptadecanoic acid CAS Name: 17-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-17-oxoheptadecanoic acid IUPAC Name: 17-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-17-oxoheptadecanoic acid Traditional Name: 17-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-17-keto-heptadecanoic acid Formula: C27H43NO5S MolecularWeight: 493.69902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO5S/c29-25(28-23-17-14-15-18-24(23)34-22-16-21-27(32)33)19-12-10-8-6-4-2-1-3-5-7-9-11-13-20-26(30)31/h14-15,17-18H,1-13,16,19-22H2,(H,28,29)(H,30,31)(H,32,33)