dimethyl-(4-oxidanylidene-4-triacontoxy-2-triacontoxycarbonyl-butanethioyl)-sulfanyl-azanium

Systemtic Name: dimethyl-(4-oxidanylidene-4-triacontoxy-2-triacontoxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: dimethyl-(4-oxo-4-triacontoxy-2-triacontoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-dimethyl-[4-oxo-2-[oxo(triacontoxy)methyl]-1-sulfanylidene-4-triacontoxybutyl]ammonium IUPAC Name: dimethyl-(4-oxo-4-triacontoxy-2-triacontoxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-keto-4-melissyloxy-2-melissyloxycarbonyl-butanethioyl)-mercapto-dimethyl-ammonium Formula: C67H132NO4S2+ MolecularWeight: 1079.89928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=S)[N+](C)(C)S)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C67H132NO4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-71-65(69)63-64(66(73)68(3,4)74)67(70)72-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h64,74H,5-63H2,1-4H3/q+1