20-oxidanylidene-20-[[2-(4-sulfobutoxy)phenyl]amino]icosanoic acid

Systemtic Name: 20-oxidanylidene-20-[[2-(4-sulfobutoxy)phenyl]amino]icosanoic acid Openeye Name: 20-oxo-20-[2-(4-sulfobutoxy)anilino]icosanoic acid CAS Name: 20-oxo-20-[2-(4-sulfobutoxy)anilino]eicosanoic acid IUPAC Name: 20-oxo-20-[2-(4-sulfobutoxy)anilino]icosanoic acid Traditional Name: 20-keto-20-[2-(4-sulfobutoxy)anilino]arachidic acid Formula: C30H51NO7S MolecularWeight: 569.79344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51NO7S/c32-29(31-27-21-17-18-22-28(27)38-25-19-20-26-39(35,36)37)23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-30(33)34/h17-18,21-22H,1-16,19-20,23-26H2,(H,31,32)(H,33,34)(H,35,36,37)