3-[2-carboxyethyl-[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[4-[(4-dodecyl-2-nitro-phenyl)diazenyl]phenyl]amino]propanoic acid Openeye Name: 3-[N-(2-carboxyethyl)-4-(4-dodecyl-2-nitro-phenyl)azo-anilino]propanoic acid CAS Name: 3-[N-(2-carboxyethyl)-4-(4-dodecyl-2-nitrophenyl)azoanilino]propanoic acid IUPAC Name: 3-[N-(2-carboxyethyl)-4-[(4-dodecyl-2-nitrophenyl)diazenyl]anilino]propanoic acid Traditional Name: 3-[N-(2-carboxyethyl)-4-(4-lauryl-2-nitro-phenyl)azo-anilino]propionic acid Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CCC(=O)O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C30H42N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-18-27(28(23-24)34(39)40)32-31-25-14-16-26(17-15-25)33(21-19-29(35)36)22-20-30(37)38/h13-18,23H,2-12,19-22H2,1H3,(H,35,36)(H,37,38)