2-[4-[(3-oxidanyl-2-sulfo-phenyl)carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[(3-oxidanyl-2-sulfo-phenyl)carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[(3-hydroxy-2-sulfo-benzoyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[(3-hydroxy-2-sulfophenyl)-oxomethyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[(3-hydroxy-2-sulfobenzoyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-[(3-hydroxy-2-sulfo-benzoyl)amino]imidazol-1-yl]caprylic acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)O)S(=O)(=O)O

InChI

InChI=1S/C18H23N3O7S/c1-2-3-4-5-8-13(18(24)25)21-10-15(19-11-21)20-17(23)12-7-6-9-14(22)16(12)29(26,27)28/h6-7,9-11,13,22H,2-5,8H2,1H3,(H,20,23)(H,24,25)(H,26,27,28)