(5Z)-6-oxidanylidene-7-(pentylcarbamoyl)-5-[[4-(2-sulfooxysulfonylethyl)phenyl]hydrazinylidene]naphthalene-2-carboxylic acid

Systemtic Name: (5Z)-6-oxidanylidene-7-(pentylcarbamoyl)-5-[[4-(2-sulfooxysulfonylethyl)phenyl]hydrazinylidene]naphthalene-2-carboxylic acid Openeye Name: (5Z)-6-oxo-7-(pentylcarbamoyl)-5-[[4-(2-sulfooxysulfonylethyl)phenyl]hydrazono]naphthalene-2-carboxylic acid CAS Name: (5Z)-6-oxo-7-[oxo-(pentylamino)methyl]-5-[[4-(2-sulfooxysulfonylethyl)phenyl]hydrazinylidene]-2-naphthalenecarboxylic acid IUPAC Name: (5Z)-6-oxo-7-(pentylcarbamoyl)-5-[[4-(2-sulfooxysulfonylethyl)phenyl]hydrazinylidene]naphthalene-2-carboxylic acid Traditional Name: (5Z)-7-(amylcarbamoyl)-6-keto-5-[[4-(2-sulfoxysulfonylethyl)phenyl]hydrazono]-2-naphthoic acid Formula: C25H27N3O10S2 MolecularWeight: 593.62598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(C=CC(=C2)C(=O)O)C(=NNC3=CC=C(C=C3)CCS(=O)(=O)OS(=O)(=O)O)C1=O

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(C=CC(=C2)C(=O)O)/C(=N/NC3=CC=C(C=C3)CCS(=O)(=O)OS(=O)(=O)O)/C1=O

InChI

InChI=1S/C25H27N3O10S2/c1-2-3-4-12-26-24(30)21-15-18-14-17(25(31)32)7-10-20(18)22(23(21)29)28-27-19-8-5-16(6-9-19)11-13-39(33,34)38-40(35,36)37/h5-10,14-15,27H,2-4,11-13H2,1H3,(H,26,30)(H,31,32)(H,35,36,37)/b28-22-