sodium (6E)-4-acetamido-7-methyl-6-[[4-[2-(3-methyl-4-oxidanyl-naphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (6E)-4-acetamido-7-methyl-6-[[4-[2-(3-methyl-4-oxidanyl-naphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (6E)-4-acetamido-6-[[4-[2-[(4-hydroxy-3-methyl-1-naphthyl)oxy]ethoxy]phenyl]hydrazono]-7-methyl-5-oxo-naphthalene-2-sulfonate CAS Name: sodium (6E)-4-acetamido-6-[[4-[2-[(4-hydroxy-3-methyl-1-naphthalenyl)oxy]ethoxy]phenyl]hydrazinylidene]-7-methyl-5-oxo-2-naphthalenesulfonate IUPAC Name: sodium (6E)-4-acetamido-6-[[4-[2-(4-hydroxy-3-methylnaphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-7-methyl-5-oxonaphthalene-2-sulfonate Traditional Name: sodium (6E)-4-acetamido-6-[[4-[2-(4-hydroxy-3-methyl-1-naphthoxy)ethoxy]phenyl]hydrazono]-5-keto-7-methyl-naphthalene-2-sulfonate Formula: C32H28N3NaO8S MolecularWeight: 637.63479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2C(=O)C1=NNC3=CC=C(C=C3)OCCOC4=CC(=C(C5=CC=CC=C54)O)C)NC(=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC\1=CC2=CC(=CC(=C2C(=O)/C1=N/NC3=CC=C(C=C3)OCCOC4=CC(=C(C5=CC=CC=C54)O)C)NC(=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C32H29N3O8S.Na/c1-18-14-21-16-24(44(39,40)41)17-27(33-20(3)36)29(21)32(38)30(18)35-34-22-8-10-23(11-9-22)42-12-13-43-28-15-19(2)31(37)26-7-5-4-6-25(26)28;/h4-11,14-17,34,37H,12-13H2,1-3H3,(H,33,36)(H,39,40,41);/q;+1/p-1/b35-30+;