3-[(4-hexadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 3-[(4-hexadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonic acid Openeye Name: 3-[(4-hexadecanoyloxy-1-naphthyl)azo]benzenesulfonic acid CAS Name: 3-[[4-(1-oxohexadecoxy)-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 3-[(4-hexadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonic acid Traditional Name: 3-[(4-hexadecanoyloxy-1-naphthyl)azo]besylic acid Formula: C32H42N2O5S MolecularWeight: 566.75128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C32H42N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-32(35)39-31-24-23-30(28-20-15-16-21-29(28)31)34-33-26-18-17-19-27(25-26)40(36,37)38/h15-21,23-25H,2-14,22H2,1H3,(H,36,37,38)