sodium 6-azanylidene-5-[2-[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium 6-azanylidene-5-[2-[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-[2-[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-[[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-[2-[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-[N'-[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C32H28N3NaO9S3 MolecularWeight: 717.76419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=CC=C3NNC4=C5C(=CC(=CC5=O)S(=O)(=O)[O-])C=CC4=N.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=CC=C3NNC4=C5C(=CC(=CC5=O)S(=O)(=O)[O-])C=CC4=N.[Na+]

InChI

InChI=1S/C32H29N3O9S3.Na/c1-32(2,3)21-12-14-22(15-13-21)44-47(42,43)24-8-6-7-23(18-24)45(37,38)29-10-5-4-9-27(29)34-35-31-26(33)16-11-20-17-25(46(39,40)41)19-28(36)30(20)31;/h4-19,33-35H,1-3H3,(H,39,40,41);/q;+1/p-1