(3E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3E)-4-amino-5-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3E)-4-amino-5-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3E)-4-amino-5-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3E)-4-amino-5-keto-3-[[4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonic acid Formula: C18H17N3O13S4 MolecularWeight: 611.59988

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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

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

InChI

InChI=1S/C18H17N3O13S4/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)/b21-18-