8-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]-5-phenyldiazenyl-naphthalene-2-sulfonic acid

Systemtic Name: 8-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]-5-phenyldiazenyl-naphthalene-2-sulfonic acid Openeye Name: 8-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]azo-5-phenylazo-naphthalene-2-sulfonic acid CAS Name: 8-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]azo-5-phenyldiazenyl-2-naphthalenesulfonic acid IUPAC Name: 8-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid Traditional Name: 8-[4-[ethyl-(3-sulfobenzyl)amino]phenyl]azo-5-phenylazo-naphthalene-2-sulfonic acid Formula: C31H27N5O6S2 MolecularWeight: 629.70598

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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=C(C=CC4=C(C=C3)N=NC5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=CC=C5)S(=O)(=O)O

InChI

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