8-[(3-azanyl-4-methyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(3-azanyl-4-methyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(3-amino-4-methylphenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C18H16N2O10S3 MolecularWeight: 516.52204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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