tetrasodium (3E)-4-oxidanylidene-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3E)-4-oxidanylidene-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3E)-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (3E)-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3E)-4-oxo-3-[[4-(2-phosphonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (3E)-4-keto-3-[[4-(2-phosphatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C18H13N2Na4O13PS3 MolecularWeight: 684.429261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H17N2O13PS3.4Na/c21-18-15-6-5-14(36(27,28)29)9-11(15)10-16(37(30,31)32)17(18)20-19-12-1-3-13(4-2-12)35(25,26)8-7-33-34(22,23)24;;;;/h1-6,9-10,19H,7-8H2,(H2,22,23,24)(H,27,28,29)(H,30,31,32);;;;/q;4*+1/p-4/b20-17-;;;;