3-azanyl-7-[(4-methylphenyl)carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-azanyl-7-[(4-methylphenyl)carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 3-amino-7-[(4-methylbenzoyl)amino]naphthalene-1,5-disulfonic acid CAS Name: 3-amino-7-[[(4-methylphenyl)-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-amino-7-[(4-methylbenzoyl)amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-amino-7-(p-toluoylamino)naphthalene-1,5-disulfonic acid Formula: C18H16N2O7S2 MolecularWeight: 436.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C(C=C3C(=C2)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C(C=C3C(=C2)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C18H16N2O7S2/c1-10-2-4-11(5-3-10)18(21)20-13-8-15-14(17(9-13)29(25,26)27)6-12(19)7-16(15)28(22,23)24/h2-9H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)