2-[(3S,6S)-3-methoxycarbonyl-6-(4-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(3S,6S)-3-methoxycarbonyl-6-(4-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(3S,6S)-3-methoxycarbonyl-6-(4-methoxyphenyl)-3-methyl-2-oxo-cyclohexyl]acetic acid CAS Name: 2-[(3S,6S)-3-methoxycarbonyl-6-(4-methoxyphenyl)-3-methyl-2-oxocyclohexyl]acetic acid IUPAC Name: 2-[(3S,6S)-3-methoxycarbonyl-6-(4-methoxyphenyl)-3-methyl-2-oxocyclohexyl]acetic acid Traditional Name: 2-[(3S,6S)-3-carbomethoxy-2-keto-6-(4-methoxyphenyl)-3-methyl-cyclohexyl]acetic acid Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1=O)CC(=O)O)C2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-18(17(22)24-3)9-8-13(14(16(18)21)10-15(19)20)11-4-6-12(23-2)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H,19,20)/t13-,14?,18+/m1/s1