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

Systemtic Name: 8-[dibutyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate Openeye Name: 8-[dibutyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 8-[[dibutyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methyloctanoate IUPAC Name: 8-[dibutyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyloctanoate Traditional Name: 8-[[dibutyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-caprylate Formula: C29H45NO3S MolecularWeight: 487.7375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO3S/c1-6-8-19-30(4,20-9-7-2)34-21-13-11-10-12-18-29(3,28(31)32)26-16-14-25-23-27(33-5)17-15-24(25)22-26/h14-17,22-23H,6-13,18-21H2,1-5H3