(1S,4R,5S,6S)-6-methyl-4-oxidanyl-5,6-bis(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylic acid

Systemtic Name: (1S,4R,5S,6S)-6-methyl-4-oxidanyl-5,6-bis(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylic acid Openeye Name: (1S,4R,5S,6S)-5,6-bis(benzyloxymethyl)-4-hydroxy-6-methyl-cyclohex-2-ene-1-carboxylic acid CAS Name: (1S,4R,5S,6S)-4-hydroxy-6-methyl-5,6-bis(phenylmethoxymethyl)-1-cyclohex-2-enecarboxylic acid IUPAC Name: (1S,4R,5S,6S)-4-hydroxy-6-methyl-5,6-bis(phenylmethoxymethyl)cyclohex-2-ene-1-carboxylic acid Traditional Name: (1S,4R,5S,6S)-5,6-bis(benzoxymethyl)-4-hydroxy-6-methyl-cyclohex-2-ene-1-carboxylic acid Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C=CC(C1COCC2=CC=CC=C2)O)C(=O)O)COCC3=CC=CC=C3

Isomeric SMILES

C[C@]1([C@H](C=C[C@H]([C@@H]1COCC2=CC=CC=C2)O)C(=O)O)COCC3=CC=CC=C3

InChI

InChI=1S/C24H28O5/c1-24(17-29-15-19-10-6-3-7-11-19)20(23(26)27)12-13-22(25)21(24)16-28-14-18-8-4-2-5-9-18/h2-13,20-22,25H,14-17H2,1H3,(H,26,27)/t20-,21+,22-,24-/m1/s1