18-[ethyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-18-oxidanylidene-octadecanoic acid

Systemtic Name: 18-[ethyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-18-oxidanylidene-octadecanoic acid Openeye Name: 18-[N-ethyl-2-(4-hydroxy-4-oxo-butyl)sulfanyl-anilino]-18-oxo-octadecanoic acid CAS Name: 18-[N-ethyl-2-[(4-hydroxy-4-oxobutyl)thio]anilino]-18-oxooctadecanoic acid IUPAC Name: 18-[N-ethyl-2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-18-oxooctadecanoic acid Traditional Name: 18-[N-ethyl-2-[(4-hydroxy-4-keto-butyl)thio]anilino]-18-keto-stearic acid Formula: C30H49NO5S MolecularWeight: 535.77876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1SCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCN(C1=CC=CC=C1SCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C30H49NO5S/c1-2-31(26-20-17-18-21-27(26)37-25-19-24-30(35)36)28(32)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-29(33)34/h17-18,20-21H,2-16,19,22-25H2,1H3,(H,33,34)(H,35,36)