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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-8-[methyl-di(propan-2-yl)azaniumyl]sulfanyl-octanoate Openeye Name: 8-[diisopropyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-8-[[methyl-di(propan-2-yl)ammonio]thio]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-8-[methyl-di(propan-2-yl)azaniumyl]sulfanyloctanoate Traditional Name: 8-[[diisopropyl(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO3S/c1-20(2)28(6,21(3)4)32-17-11-9-8-10-16-27(5,26(29)30)24-14-12-23-19-25(31-7)15-13-22(23)18-24/h12-15,18-21H,8-11,16-17H2,1-7H3