8-(butyl-ethyl-methyl-azaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate

Systemtic Name: 8-(butyl-ethyl-methyl-azaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate Openeye Name: 8-(butyl-ethyl-methyl-ammonio)sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 8-[(butyl-ethyl-methylammonio)thio]-2-(6-methoxy-2-naphthalenyl)-2-methyloctanoate IUPAC Name: 8-(butyl-ethyl-methylazaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyloctanoate Traditional Name: 8-[(butyl-ethyl-methyl-ammonio)thio]-2-(6-methoxy-2-naphthyl)-2-methyl-caprylate Formula: C27H41NO3S MolecularWeight: 459.68434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CC)SCCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCCC[N+](C)(CC)SCCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C27H41NO3S/c1-6-8-18-28(4,7-2)32-19-12-10-9-11-17-27(3,26(29)30)24-15-13-23-21-25(31-5)16-14-22(23)20-24/h13-16,20-21H,6-12,17-19H2,1-5H3