(4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-propan-2-yl-sulfanyl-azanium

Systemtic Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxidanylidene-butanethioyl)-methyl-propan-2-yl-sulfanyl-azanium Openeye Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxo-butanethioyl)-isopropyl-methyl-sulfanyl-ammonium CAS Name: [4-dodecoxy-2-[dodecoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-mercapto-methyl-propan-2-ylammonium IUPAC Name: (4-dodecoxy-2-dodecoxycarbonyl-4-oxobutanethioyl)-methyl-propan-2-yl-sulfanylazanium Traditional Name: isopropyl-(4-keto-4-lauryloxy-2-lauryloxycarbonyl-butanethioyl)-mercapto-methyl-ammonium Formula: C33H64NO4S2+ MolecularWeight: 602.99556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C(C)C)S)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C(C)C)S)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C33H64NO4S2/c1-6-8-10-12-14-16-18-20-22-24-26-37-31(35)28-30(32(39)34(5,40)29(3)4)33(36)38-27-25-23-21-19-17-15-13-11-9-7-2/h29-30,40H,6-28H2,1-5H3/q+1