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

Systemtic Name: O1-methyl O6-[2-oxidanyl-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] hexanedioate Openeye Name: O6-[2-hydroxy-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] O1-methyl hexanedioate CAS Name: hexanedioic acid O6-[2-hydroxy-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] ester O1-methyl ester IUPAC Name: 6-O-[2-hydroxy-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] 1-O-methyl hexanedioate Traditional Name: adipic acid O6-[2-hydroxy-1,2-bis[4-[(E)-prop-1-enyl]phenyl]ethyl] ester O1-methyl ester Formula: C27H32O5 MolecularWeight: 436.53998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O5/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/h4-5,8-9,12-19,26-27,30H,6-7,10-11H2,1-3H3/b8-4+,9-5+