dibutyl-[6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-methyl-azanium

Systemtic Name: dibutyl-[6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-methyl-azanium Openeye Name: dibutyl-[7-hydroxy-6-(6-methoxy-2-naphthyl)-6-methyl-7-oxo-heptyl]sulfanyl-methyl-ammonium CAS Name: dibutyl-[[7-hydroxy-6-(6-methoxy-2-naphthalenyl)-6-methyl-7-oxoheptyl]thio]-methylammonium IUPAC Name: dibutyl-[7-hydroxy-6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxoheptyl]sulfanyl-methylazanium Traditional Name: dibutyl-[[7-hydroxy-7-keto-6-(6-methoxy-2-naphthyl)-6-methyl-heptyl]thio]-methyl-ammonium Formula: C28H44NO3S+ MolecularWeight: 474.71886

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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/p+1