O1-methyl O2-(phenylmethyl) (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylate

Systemtic Name: O1-methyl O2-(phenylmethyl) (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-methyl (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylate CAS Name: (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-methyl (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylate Traditional Name: (3S)-3-methylcyclohexa-1,4-diene-1,2-dicarboxylic acid O2-benzyl ester O1-methyl ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(=C1C(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@H]1C=CCC(=C1C(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H18O4/c1-12-7-6-10-14(16(18)20-2)15(12)17(19)21-11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1