trisodium (3Z)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-4-amino-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-4-amino-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-4-amino-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-4-amino-5-keto-3-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C18H14N3Na3O13S4 MolecularWeight: 677.54537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O13S4.3Na/c19-17-16-10(7-13(9-14(16)22)36(25,26)27)8-15(37(28,29)30)18(17)21-20-11-1-3-12(4-2-11)35(23,24)6-5-34-38(31,32)33;;;/h1-4,7-9,20H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/b21-18+;;;