19-[butyl-[2-(4-sulfinobutoxy)phenyl]amino]-19-oxidanylidene-nonadecanoic acid

Systemtic Name: 19-[butyl-[2-(4-sulfinobutoxy)phenyl]amino]-19-oxidanylidene-nonadecanoic acid Openeye Name: 19-[N-butyl-2-(4-sulfinobutoxy)anilino]-19-oxo-nonadecanoic acid CAS Name: 19-[N-butyl-2-(4-sulfinobutoxy)anilino]-19-oxononadecanoic acid IUPAC Name: 19-[N-butyl-2-(4-sulfinobutoxy)anilino]-19-oxononadecanoic acid Traditional Name: 19-[N-butyl-2-(4-sulfinobutoxy)anilino]-19-keto-nonadecanoic acid Formula: C33H57NO6S MolecularWeight: 595.87378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1OCCCCS(=O)O)C(=O)CCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC=C1OCCCCS(=O)O)C(=O)CCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C33H57NO6S/c1-2-3-27-34(30-23-19-20-24-31(30)40-28-21-22-29-41(38)39)32(35)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26-33(36)37/h19-20,23-24H,2-18,21-22,25-29H2,1H3,(H,36,37)(H,38,39)