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

Systemtic Name: dipotassium 8-imidazol-1-yl-2-[(2-sulfonatophenyl)carbonylamino]octanoate Openeye Name: dipotassium 8-imidazol-1-yl-2-[(2-sulfonatobenzoyl)amino]octanoate CAS Name: dipotassium 8-(1-imidazolyl)-2-[[oxo-(2-sulfonatophenyl)methyl]amino]octanoate IUPAC Name: dipotassium 8-imidazol-1-yl-2-[(2-sulfonatobenzoyl)amino]octanoate Traditional Name: dipotassium 8-imidazol-1-yl-2-[(2-sulfonatobenzoyl)amino]caprylate Formula: C18H21K2N3O6S MolecularWeight: 485.63744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CCCCCCN2C=CN=C2)C(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CCCCCCN2C=CN=C2)C(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C18H23N3O6S.2K/c22-17(14-7-4-5-9-16(14)28(25,26)27)20-15(18(23)24)8-3-1-2-6-11-21-12-10-19-13-21;;/h4-5,7,9-10,12-13,15H,1-3,6,8,11H2,(H,20,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2