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

Systemtic Name: (3E)-4-oxidanylidene-3-[[4-(2-phosphonooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3E)-4-oxo-3-[[4-(2-phosphonooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3E)-4-oxo-3-[[4-(2-phosphonooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3E)-4-oxo-3-[[4-(2-phosphonooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3E)-4-keto-3-[[4-(2-phosphonooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonic acid Formula: C18H17N2O13PS3 MolecularWeight: 596.501941

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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

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

InChI

InChI=1S/C18H17N2O13PS3/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)/b20-17-