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

Systemtic Name: 8-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-octanoate Openeye Name: 8-[diethyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-octanoate CAS Name: 8-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methyloctanoate IUPAC Name: 8-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyloctanoate Traditional Name: 8-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-caprylate Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO3S/c1-6-26(4,7-2)30-17-11-9-8-10-16-25(3,24(27)28)22-14-12-21-19-23(29-5)15-13-20(21)18-22/h12-15,18-19H,6-11,16-17H2,1-5H3