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

Systemtic Name: sodium (6E)-4-acetamido-7-methyl-6-[[4-[2-(6-methyl-5-oxidanyl-naphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (6E)-4-acetamido-6-[[4-[2-[(5-hydroxy-6-methyl-1-naphthyl)oxy]ethoxy]phenyl]hydrazono]-7-methyl-5-oxo-naphthalene-2-sulfonate CAS Name: sodium (6E)-4-acetamido-6-[[4-[2-[(5-hydroxy-6-methyl-1-naphthalenyl)oxy]ethoxy]phenyl]hydrazinylidene]-7-methyl-5-oxo-2-naphthalenesulfonate IUPAC Name: sodium (6E)-4-acetamido-6-[[4-[2-(5-hydroxy-6-methylnaphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-7-methyl-5-oxonaphthalene-2-sulfonate Traditional Name: sodium (6E)-4-acetamido-6-[[4-[2-(5-hydroxy-6-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=C(C2=C(C=C1)C(=CC=C2)OCCOC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])C)O.[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC=C2)OCCOC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])C)O.[Na+]

InChI

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