(4-butan-2-yloxy-2-butan-2-yloxycarbonyl-4-oxidanylidene-butanethioyl)-diheptyl-sulfanyl-azanium

Systemtic Name: (4-butan-2-yloxy-2-butan-2-yloxycarbonyl-4-oxidanylidene-butanethioyl)-diheptyl-sulfanyl-azanium Openeye Name: diheptyl-(4-oxo-4-sec-butoxy-2-sec-butoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: [4-butan-2-yloxy-2-[butan-2-yloxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-diheptyl-mercaptoammonium IUPAC Name: (4-butan-2-yloxy-2-butan-2-yloxycarbonyl-4-oxobutanethioyl)-diheptyl-sulfanylazanium Traditional Name: diheptyl-(4-keto-4-sec-butoxy-2-sec-butoxycarbonyl-butanethioyl)-mercapto-ammonium Formula: C27H52NO4S2+ MolecularWeight: 518.83608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(C(=S)C(CC(=O)OC(C)CC)C(=O)OC(C)CC)S

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(C(=S)C(CC(=O)OC(C)CC)C(=O)OC(C)CC)S

InChI

InChI=1S/C27H52NO4S2/c1-7-11-13-15-17-19-28(34,20-18-16-14-12-8-2)26(33)24(27(30)32-23(6)10-4)21-25(29)31-22(5)9-3/h22-24,34H,7-21H2,1-6H3/q+1