butan-2-yl-dodecyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: butan-2-yl-dodecyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: dodecyl-(4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-sec-butyl-sulfanyl-ammonium CAS Name: butan-2-yl-dodecyl-mercapto-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]ammonium IUPAC Name: butan-2-yl-dodecyl-(4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-sulfanylazanium Traditional Name: (4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-lauryl-mercapto-sec-butyl-ammonium Formula: C37H72NO4S2+ MolecularWeight: 659.10188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C(C)CC)(C(=S)C(CC(=O)OCCCCCCCC)C(=O)OCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCC[N+](C(C)CC)(C(=S)C(CC(=O)OCCCCCCCC)C(=O)OCCCCCCCC)S

InChI

InChI=1S/C37H72NO4S2/c1-6-10-13-16-19-20-21-22-23-26-29-38(44,33(5)9-4)36(43)34(37(40)42-31-28-25-18-15-12-8-3)32-35(39)41-30-27-24-17-14-11-7-2/h33-34,44H,6-32H2,1-5H3/q+1