3-[ethyl-[3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[ethyl-[3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-[N-ethyl-3-methyl-4-(4-phenylazophenyl)azo-anilino]propane-1-sulfonic acid CAS Name: 3-[N-ethyl-3-methyl-4-(4-phenyldiazenylphenyl)azoanilino]-1-propanesulfonic acid IUPAC Name: 3-[N-ethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]propane-1-sulfonic acid Traditional Name: 3-[N-ethyl-3-methyl-4-(4-phenylazophenyl)azo-anilino]propane-1-sulfonic acid Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C

InChI

InChI=1S/C24H27N5O3S/c1-3-29(16-7-17-33(30,31)32)23-14-15-24(19(2)18-23)28-27-22-12-10-21(11-13-22)26-25-20-8-5-4-6-9-20/h4-6,8-15,18H,3,7,16-17H2,1-2H3,(H,30,31,32)