dipotassium 2-methyl-8-[2-[(2-sulfonatophenyl)carbonylamino]imidazol-1-yl]octanoate

Systemtic Name: dipotassium 2-methyl-8-[2-[(2-sulfonatophenyl)carbonylamino]imidazol-1-yl]octanoate Openeye Name: dipotassium 2-methyl-8-[2-[(2-sulfonatobenzoyl)amino]imidazol-1-yl]octanoate CAS Name: dipotassium 2-methyl-8-[2-[[oxo-(2-sulfonatophenyl)methyl]amino]-1-imidazolyl]octanoate IUPAC Name: dipotassium 2-methyl-8-[2-[(2-sulfonatobenzoyl)amino]imidazol-1-yl]octanoate Traditional Name: dipotassium 2-methyl-8-[2-[(2-sulfonatobenzoyl)amino]imidazol-1-yl]caprylate Formula: C19H23K2N3O6S MolecularWeight: 499.66402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)[O-].[K+].[K+]

Isomeric SMILES

CC(CCCCCCN1C=CN=C1NC(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)[O-].[K+].[K+]

InChI

InChI=1S/C19H25N3O6S.2K/c1-14(18(24)25)8-4-2-3-7-12-22-13-11-20-19(22)21-17(23)15-9-5-6-10-16(15)29(26,27)28;;/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,24,25)(H,20,21,23)(H,26,27,28);;/q;2*+1/p-2