3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]sulfanyl]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]sulfanyl]cyclopentane-1-carboxylic acid Openeye Name: 3-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)sulfanylcyclopentanecarboxylic acid CAS Name: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)sulfanyl]cyclopentane-1-carboxylic acid Traditional Name: 3-[(6,7-dichloro-2-cyclopentyl-1-keto-2-methyl-indan-5-yl)thio]cyclopentanecarboxylic acid Formula: C21H24Cl2O3S MolecularWeight: 427.38446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)SC3CCC(C3)C(=O)O)C4CCCC4

Isomeric SMILES

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)SC3CCC(C3)C(=O)O)C4CCCC4

InChI

InChI=1S/C21H24Cl2O3S/c1-21(13-4-2-3-5-13)10-12-9-15(17(22)18(23)16(12)19(21)24)27-14-7-6-11(8-14)20(25)26/h9,11,13-14H,2-8,10H2,1H3,(H,25,26)