(3E)-7-azanyl-4-oxidanylidene-3-[[2-oxidanyl-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-azanyl-4-oxidanylidene-3-[[2-oxidanyl-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-7-amino-3-[[2-hydroxy-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-amino-3-[[2-hydroxy-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-amino-3-[[2-hydroxy-3-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-amino-3-[[2-hydroxy-3-sulfo-5-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C18H17N3O14S4 MolecularWeight: 627.59928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C=C(C(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)C=C(/C(=N/NC3=CC(=CC(=C3O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O14S4/c19-10-1-2-12-9(5-10)6-14(37(26,27)28)16(17(12)22)21-20-13-7-11(8-15(18(13)23)38(29,30)31)36(24,25)4-3-35-39(32,33)34/h1-2,5-8,20,23H,3-4,19H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)/b21-16-