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

Systemtic Name: O1-methyl O2-(phenylmethyl) (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-methyl (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate CAS Name: (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-methyl (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylate Traditional Name: (3S)-3-methoxycyclohexa-1,4-diene-1,2-dicarboxylic acid O2-benzyl ester O1-methyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CCC(=C1C(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5/c1-20-14-10-6-9-13(16(18)21-2)15(14)17(19)22-11-12-7-4-3-5-8-12/h3-8,10,14H,9,11H2,1-2H3/t14-/m0/s1