methyl 4-(3-methylidene-1,4-dithiepan-2-yl)benzoate

Systemtic Name: methyl 4-(3-methylidene-1,4-dithiepan-2-yl)benzoate Openeye Name: methyl 4-(3-methylene-1,4-dithiepan-2-yl)benzoate CAS Name: 4-(3-methylene-1,4-dithiepan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-methylidene-1,4-dithiepan-2-yl)benzoate Traditional Name: 4-(3-methylene-1,4-dithiepan-2-yl)benzoic acid methyl ester Formula: C14H16O2S2 MolecularWeight: 280.40564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C)SCCCS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C)SCCCS2

InChI

InChI=1S/C14H16O2S2/c1-10-13(18-9-3-8-17-10)11-4-6-12(7-5-11)14(15)16-2/h4-7,13H,1,3,8-9H2,2H3