methyl (3S)-5-(2-chloroethyl)-2,2,6-trimethyl-3-oxidanyl-1,3-dihydroindene-4-carboxylate

Systemtic Name: methyl (3S)-5-(2-chloroethyl)-2,2,6-trimethyl-3-oxidanyl-1,3-dihydroindene-4-carboxylate Openeye Name: methyl (3S)-5-(2-chloroethyl)-3-hydroxy-2,2,6-trimethyl-indane-4-carboxylate CAS Name: (3S)-5-(2-chloroethyl)-3-hydroxy-2,2,6-trimethyl-1,3-dihydroindene-4-carboxylic acid methyl ester IUPAC Name: methyl (3S)-5-(2-chloroethyl)-3-hydroxy-2,2,6-trimethyl-1,3-dihydroindene-4-carboxylate Traditional Name: (3S)-5-(2-chloroethyl)-3-hydroxy-2,2,6-trimethyl-indane-4-carboxylic acid methyl ester Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(C(CC2=C1)(C)C)O)C(=O)OC)CCCl

Isomeric SMILES

CC1=C(C(=C2[C@H](C(CC2=C1)(C)C)O)C(=O)OC)CCCl

InChI

InChI=1S/C16H21ClO3/c1-9-7-10-8-16(2,3)14(18)12(10)13(15(19)20-4)11(9)5-6-17/h7,14,18H,5-6,8H2,1-4H3/t14-/m1/s1