2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylbenzoic acid CAS Name: 2-[[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylbenzoic acid Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@H](C1)OC(=O)C2=CC=CC=C2C(=O)O)C(C)C

InChI

InChI=1S/C18H24O4/c1-11(2)13-9-8-12(3)10-16(13)22-18(21)15-7-5-4-6-14(15)17(19)20/h4-7,11-13,16H,8-10H2,1-3H3,(H,19,20)/t12-,13-,16-/m0/s1