dimethyl (5S,6S)-6-oxidanyl-5-(phenylmethyl)cyclohexa-1,3-diene-1,2-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-6-oxidanyl-5-(phenylmethyl)cyclohexa-1,3-diene-1,2-dicarboxylate Openeye Name: dimethyl (5S,6S)-5-benzyl-6-hydroxy-cyclohexa-1,3-diene-1,2-dicarboxylate CAS Name: (5S,6S)-6-hydroxy-5-(phenylmethyl)cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-5-benzyl-6-hydroxycyclohexa-1,3-diene-1,2-dicarboxylate Traditional Name: (5S,6S)-5-benzyl-6-hydroxy-cyclohexa-1,3-diene-1,2-dicarboxylic acid dimethyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(C=C1)CC2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([C@H]([C@H](C=C1)CC2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C17H18O5/c1-21-16(19)13-9-8-12(10-11-6-4-3-5-7-11)15(18)14(13)17(20)22-2/h3-9,12,15,18H,10H2,1-2H3/t12-,15+/m1/s1