2-(6-methoxynaphthalen-2-yl)-2-methyl-8-[methyl(diphenyl)azaniumyl]sulfanyl-octanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-8-[methyl(diphenyl)azaniumyl]sulfanyl-octanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-8-[methyl(diphenyl)ammonio]sulfanyl-octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-8-[[methyl(diphenyl)ammonio]thio]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-8-[methyl(diphenyl)azaniumyl]sulfanyloctanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-8-[[methyl(diphenyl)ammonio]thio]caprylate Formula: C33H37NO3S MolecularWeight: 527.71678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC(CCCCCCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C33H37NO3S/c1-33(32(35)36,28-20-18-27-25-31(37-3)21-19-26(27)24-28)22-12-4-5-13-23-38-34(2,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-11,14-21,24-25H,4-5,12-13,22-23H2,1-3H3