O1-methyl O6-[2-oxidanylidene-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] hexanedioate

Systemtic Name: O1-methyl O6-[2-oxidanylidene-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] hexanedioate Openeye Name: O1-methyl O6-[2-oxo-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] hexanedioate CAS Name: hexanedioic acid O1-methyl ester O6-[2-oxo-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] ester IUPAC Name: 1-O-methyl 6-O-[2-oxo-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] hexanedioate Traditional Name: adipic acid O6-[2-keto-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] ester O1-methyl ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)/C=C/C)OC(=O)CCCCC(=O)OC

InChI

InChI=1S/C27H30O5/c1-4-8-20-12-16-22(17-13-20)26(30)27(23-18-14-21(9-5-2)15-19-23)32-25(29)11-7-6-10-24(28)31-3/h4-5,8-9,12-19,27H,6-7,10-11H2,1-3H3/b8-4+,9-5+