6-methyl-6-sulfanyl-1,4-dioxepane-5,7-dione

Systemtic Name: 6-methyl-6-sulfanyl-1,4-dioxepane-5,7-dione Openeye Name: 6-methyl-6-sulfanyl-1,4-dioxepane-5,7-dione CAS Name: 6-mercapto-6-methyl-1,4-dioxepane-5,7-dione IUPAC Name: 6-methyl-6-sulfanyl-1,4-dioxepane-5,7-dione Traditional Name: 6-mercapto-6-methyl-1,4-dioxepane-5,7-quinone Formula: C6H8O4S MolecularWeight: 176.19032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OCCOC1=O)S

Isomeric SMILES

CC1(C(=O)OCCOC1=O)S

InChI

InChI=1S/C6H8O4S/c1-6(11)4(7)9-2-3-10-5(6)8/h11H,2-3H2,1H3