7-[dibutyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate

Systemtic Name: 7-[dibutyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate Openeye Name: 7-[dibutyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoate CAS Name: 7-[[dibutyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylheptanoate IUPAC Name: 7-[dibutyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylheptanoate Traditional Name: 7-[[dibutyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthate Formula: C28H43NO3S MolecularWeight: 473.71092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43NO3S/c1-6-8-18-29(4,19-9-7-2)33-20-12-10-11-17-28(3,27(30)31)25-15-13-24-22-26(32-5)16-14-23(24)21-25/h13-16,21-22H,6-12,17-20H2,1-5H3