3-[[ethyl-[4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[ethyl-[4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenyl]amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-ethyl-4-[(4-phenylazo-1-naphthyl)azo]anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-ethyl-4-[(4-phenyldiazenyl-1-naphthalenyl)azo]anilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-ethyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]anilino]methyl]benzenesulfonic acid Traditional Name: 3-[[N-ethyl-4-[(4-phenylazo-1-naphthyl)azo]anilino]methyl]besylic acid Formula: C31H27N5O3S MolecularWeight: 549.64278

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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=CC=C(C4=CC=CC=C43)N=NC5=CC=CC=C5

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=CC=C5

InChI

InChI=1S/C31H27N5O3S/c1-2-36(22-23-9-8-12-27(21-23)40(37,38)39)26-17-15-25(16-18-26)33-35-31-20-19-30(28-13-6-7-14-29(28)31)34-32-24-10-4-3-5-11-24/h3-21H,2,22H2,1H3,(H,37,38,39)