3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate

Systemtic Name: 3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate Openeye Name: 3-[2-[ethyl(methyl)ammonio]phenyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 3-[[2-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthalenyl)-2-methyloctanoate IUPAC Name: 3-[2-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyloctanoate Traditional Name: 3-[[2-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-caprylate Formula: C29H37NO3S MolecularWeight: 479.67398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC=C3[NH+](C)CC

Isomeric SMILES

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC=C3[NH+](C)CC

InChI

InChI=1S/C29H37NO3S/c1-6-8-9-14-27(34-26-13-11-10-12-25(26)30(4)7-2)29(3,28(31)32)23-17-15-22-20-24(33-5)18-16-21(22)19-23/h10-13,15-20,27H,6-9,14H2,1-5H3,(H,31,32)