8-[(4-azanyl-3-methyl-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-azanyl-3-methyl-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-amino-3-methyl-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-amino-3-methylphenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-amino-3-methylbenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-amino-3-methyl-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C18H16N2O10S3 MolecularWeight: 516.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C18H16N2O10S3/c1-9-4-10(2-3-14(9)19)18(21)20-15-7-12(31(22,23)24)5-11-6-13(32(25,26)27)8-16(17(11)15)33(28,29)30/h2-8H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)