2-[2-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[2-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[2-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[2-[(2-sulfobenzoyl)amino]imidazol-1-yl]caprylic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C18H23N3O6S/c1-2-3-4-5-9-14(17(23)24)21-12-11-19-18(21)20-16(22)13-8-6-7-10-15(13)28(25,26)27/h6-8,10-12,14H,2-5,9H2,1H3,(H,23,24)(H,19,20,22)(H,25,26,27)