butyl 3-oxidanylidene-6-pentanoyloxy-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylate

Systemtic Name: butyl 3-oxidanylidene-6-pentanoyloxy-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylate Openeye Name: butyl 3-oxo-6-pentanoyloxy-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylate CAS Name: 3-oxo-6-(1-oxopentoxy)-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylic acid butyl ester IUPAC Name: butyl 3-oxo-6-pentanoyloxy-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylate Traditional Name: 3-keto-6-valeryloxy-4,5,6,7-tetrahydro-1,2-benzodithiole-5-carboxylic acid butyl ester Formula: C17H24O5S2 MolecularWeight: 372.49946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CC2=C(CC1C(=O)OCCCC)C(=O)SS2

Isomeric SMILES

CCCCC(=O)OC1CC2=C(CC1C(=O)OCCCC)C(=O)SS2

InChI

InChI=1S/C17H24O5S2/c1-3-5-7-15(18)22-13-10-14-12(17(20)24-23-14)9-11(13)16(19)21-8-6-4-2/h11,13H,3-10H2,1-2H3