sodium 3-[ethyl-[3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]propane-1-sulfonate

Systemtic Name: sodium 3-[ethyl-[3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]amino]propane-1-sulfonate Openeye Name: sodium 3-[N-ethyl-3-methyl-4-(4-phenylazophenyl)azo-anilino]propane-1-sulfonate CAS Name: sodium 3-[N-ethyl-3-methyl-4-(4-phenyldiazenylphenyl)azoanilino]-1-propanesulfonate IUPAC Name: sodium 3-[N-ethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]propane-1-sulfonate Traditional Name: sodium 3-[N-ethyl-3-methyl-4-(4-phenylazophenyl)azo-anilino]propane-1-sulfonate Formula: C24H26N5NaO3S MolecularWeight: 487.54971

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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.[Na+]

Isomeric SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C24H27N5O3S.Na/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);/q;+1/p-1