10-oxidanylidene-10-[[2-(4-sulfobutoxy)phenyl]amino]decanoic acid

Systemtic Name: 10-oxidanylidene-10-[[2-(4-sulfobutoxy)phenyl]amino]decanoic acid Openeye Name: 10-oxo-10-[2-(4-sulfobutoxy)anilino]decanoic acid CAS Name: 10-oxo-10-[2-(4-sulfobutoxy)anilino]decanoic acid IUPAC Name: 10-oxo-10-[2-(4-sulfobutoxy)anilino]decanoic acid Traditional Name: 10-keto-10-[2-(4-sulfobutoxy)anilino]capric acid Formula: C20H31NO7S MolecularWeight: 429.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCC(=O)O)OCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCC(=O)O)OCCCCS(=O)(=O)O

InChI

InChI=1S/C20H31NO7S/c22-19(13-5-3-1-2-4-6-14-20(23)24)21-17-11-7-8-12-18(17)28-15-9-10-16-29(25,26)27/h7-8,11-12H,1-6,9-10,13-16H2,(H,21,22)(H,23,24)(H,25,26,27)