disodium 5-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate

Systemtic Name: disodium 5-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate Openeye Name: disodium 5-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]azo-8-phenylazo-naphthalene-2-sulfonate CAS Name: disodium 5-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]azo-8-phenyldiazenyl-2-naphthalenesulfonate IUPAC Name: disodium 5-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonate Traditional Name: disodium 5-[4-[ethyl-(3-sulfonatobenzyl)amino]phenyl]azo-8-phenylazo-naphthalene-2-sulfonate Formula: C31H25N5Na2O6S2 MolecularWeight: 673.66964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C31H27N5O6S2.2Na/c1-2-36(21-22-7-6-10-26(19-22)43(37,38)39)25-13-11-24(12-14-25)33-34-30-17-18-31(35-32-23-8-4-3-5-9-23)29-20-27(44(40,41)42)15-16-28(29)30;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2