4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride

Systemtic Name: 4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride Openeye Name: 4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride CAS Name: 4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride IUPAC Name: 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride Traditional Name: 4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid; sodium; hydrochloride Formula: C16H16ClN3NaO7S2 MolecularWeight: 484.88691

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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].Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S2.ClH.Na/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);1H;