potassium disodium (3E)-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: potassium disodium (3E)-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: potassium disodium (3E)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: potassium disodium (3E)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: potassium disodium (3E)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: potassium disodium (3E)-4-keto-3-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C18H13KN2Na2O13S4 MolecularWeight: 678.63926

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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)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+]

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)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+]

InChI

InChI=1S/C18H16N2O13S4.K.2Na/c21-18-15-6-5-14(35(24,25)26)9-11(15)10-16(36(27,28)29)17(18)20-19-12-1-3-13(4-2-12)34(22,23)8-7-33-37(30,31)32;;;/h1-6,9-10,19H,7-8H2,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b20-17-;;;