3-[[5-azanyl-4-[(4-methylphenyl)diazenyl]-2-sulfo-phenyl]amino]propanoic acid

Systemtic Name: 3-[[5-azanyl-4-[(4-methylphenyl)diazenyl]-2-sulfo-phenyl]amino]propanoic acid Openeye Name: 3-[5-amino-4-(p-tolylazo)-2-sulfo-anilino]propanoic acid CAS Name: 3-[5-amino-4-(4-methylphenyl)azo-2-sulfoanilino]propanoic acid IUPAC Name: 3-[5-amino-4-[(4-methylphenyl)diazenyl]-2-sulfoanilino]propanoic acid Traditional Name: 3-[5-amino-4-(p-tolylazo)-2-sulfo-anilino]propionic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2N)NCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2N)NCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H18N4O5S/c1-10-2-4-11(5-3-10)19-20-13-9-15(26(23,24)25)14(8-12(13)17)18-7-6-16(21)22/h2-5,8-9,18H,6-7,17H2,1H3,(H,21,22)(H,23,24,25)