methyl 2-[[5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxidanylidene-1,2-dihydroinden-1-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxidanylidene-1,2-dihydroinden-1-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-indan-1-yl]sulfanylacetate CAS Name: 2-[[5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-hydroxyethyl)-3-keto-2,4,6-trimethyl-indan-1-yl]thio]acetic acid methyl ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)SCC(=O)OC

Isomeric SMILES

CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)SCC(=O)OC

InChI

InChI=1S/C17H22O4S/c1-9-7-13-15(10(2)12(9)5-6-18)16(20)11(3)17(13)22-8-14(19)21-4/h7,11,17-18H,5-6,8H2,1-4H3