heptyl N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamodithioate

Systemtic Name: heptyl N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamodithioate Openeye Name: heptyl N-(3-methyl-1,1-dioxo-thiolan-3-yl)carbamodithioate CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)carbamodithioic acid heptyl ester IUPAC Name: heptyl N-(3-methyl-1,1-dioxothiolan-3-yl)carbamodithioate Traditional Name: N-(1,1-diketo-3-methyl-thiolan-3-yl)carbamodithioic acid heptyl ester Formula: C13H25NO2S3 MolecularWeight: 323.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=S)NC1(CCS(=O)(=O)C1)C

Isomeric SMILES

CCCCCCCSC(=S)NC1(CCS(=O)(=O)C1)C

InChI

InChI=1S/C13H25NO2S3/c1-3-4-5-6-7-9-18-12(17)14-13(2)8-10-19(15,16)11-13/h3-11H2,1-2H3,(H,14,17)