(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-di(triacontyl)azanium

Systemtic Name: (4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-sulfanyl-di(triacontyl)azanium Openeye Name: (4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-di(triacontyl)ammonium CAS Name: mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-di(triacontyl)ammonium IUPAC Name: (4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-sulfanyl-di(triacontyl)azanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-dimelissyl-mercapto-ammonium Formula: C67H132NO4S2+ MolecularWeight: 1079.89928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C67H132NO4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-68(74,66(73)64(67(70)72-4)63-65(69)71-3)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