ethyl 7-(2-oxidanyl-5-oxidanylidene-cyclopentyl)heptanoate; 2,2,6-trimethylthiepane

Systemtic Name: ethyl 7-(2-oxidanyl-5-oxidanylidene-cyclopentyl)heptanoate; 2,2,6-trimethylthiepane Openeye Name: ethyl 7-(2-hydroxy-5-oxo-cyclopentyl)heptanoate; 2,2,6-trimethylthiepane CAS Name: 7-(2-hydroxy-5-oxocyclopentyl)heptanoic acid ethyl ester; 2,2,6-trimethylthiepane IUPAC Name: ethyl 7-(2-hydroxy-5-oxocyclopentyl)heptanoate; 2,2,6-trimethylthiepane Traditional Name: 7-(2-hydroxy-5-keto-cyclopentyl)enanthic acid ethyl ester; 2,2,6-trimethylthiepane Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)O.CC1CCCC(SC1)(C)C

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)O.CC1CCCC(SC1)(C)C

InChI

InChI=1S/C14H24O4.C9H18S/c1-2-18-14(17)8-6-4-3-5-7-11-12(15)9-10-13(11)16;1-8-5-4-6-9(2,3)10-7-8/h11-12,15H,2-10H2,1H3;8H,4-7H2,1-3H3