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

Systemtic Name: trisodium 8-[(3-azanyl-4-methyl-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(3-amino-4-methylphenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(3-amino-4-methyl-benzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C18H13N2Na3O10S3 MolecularWeight: 582.46753

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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.[Na+].[Na+].[Na+]

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.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H16N2O10S3.3Na/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);;;/q;3*+1/p-3