disodium 4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonate

Systemtic Name: disodium 4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonate Openeye Name: disodium 4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonate CAS Name: disodium 4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]naphthalene-1,7-disulfonate IUPAC Name: disodium 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonate Traditional Name: disodium 4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonate Formula: C16H13N3Na2O7S2 MolecularWeight: 469.39986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C16H15N3O7S2.2Na/c1-19-8-9(17)6-14(19)16(20)18-13-4-5-15(28(24,25)26)12-7-10(27(21,22)23)2-3-11(12)13;;/h2-8H,17H2,1H3,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2