4-[(3-methyl-4-pyrrolidin-1-yl-phenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(3-methyl-4-pyrrolidin-1-yl-phenyl)diazenyl]benzenesulfonic acid Openeye Name: 4-(3-methyl-4-pyrrolidin-1-yl-phenyl)azobenzenesulfonic acid CAS Name: 4-[3-methyl-4-(1-pyrrolidinyl)phenyl]azobenzenesulfonic acid IUPAC Name: 4-[(3-methyl-4-pyrrolidin-1-ylphenyl)diazenyl]benzenesulfonic acid Traditional Name: 4-(3-methyl-4-pyrrolidino-phenyl)azobesylic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N3CCCC3

InChI

InChI=1S/C17H19N3O3S/c1-13-12-15(6-9-17(13)20-10-2-3-11-20)19-18-14-4-7-16(8-5-14)24(21,22)23/h4-9,12H,2-3,10-11H2,1H3,(H,21,22,23)