2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(diphenyl)azaniumyl]sulfanyl-hexanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(diphenyl)azaniumyl]sulfanyl-hexanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[methyl(diphenyl)ammonio]sulfanyl-hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-6-[[methyl(diphenyl)ammonio]thio]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl(diphenyl)azaniumyl]sulfanylhexanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-6-[[methyl(diphenyl)ammonio]thio]hexanoate Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC(CCCCS[N+](C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C31H33NO3S/c1-31(30(33)34,26-18-16-25-23-29(35-3)19-17-24(25)22-26)20-10-11-21-36-32(2,27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-9,12-19,22-23H,10-11,20-21H2,1-3H3