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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-7-[methyl-di(propan-2-yl)azaniumyl]sulfanyl-heptanoate Openeye Name: 7-[diisopropyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-7-[[methyl-di(propan-2-yl)ammonio]thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-7-[methyl-di(propan-2-yl)azaniumyl]sulfanylheptanoate Traditional Name: 7-[[diisopropyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthate Formula: C26H39NO3S MolecularWeight: 445.65776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO3S/c1-19(2)27(6,20(3)4)31-16-10-8-9-15-26(5,25(28)29)23-13-11-22-18-24(30-7)14-12-21(22)17-23/h11-14,17-20H,8-10,15-16H2,1-7H3