O4-ethyl O1-methyl 2,2-dimethyl-3-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]butanedioate

Systemtic Name: O4-ethyl O1-methyl 2,2-dimethyl-3-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]butanedioate Openeye Name: O4-ethyl O1-methyl 3-[(E)-1-hydroxy-3-phenyl-allyl]-2,2-dimethyl-butanedioate CAS Name: 3-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2,2-dimethylbutanedioic acid O4-ethyl ester O1-methyl ester IUPAC Name: 4-O-ethyl 1-O-methyl 3-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2,2-dimethylbutanedioate Traditional Name: 3-[(E)-1-hydroxy-3-phenyl-allyl]-2,2-dimethyl-succinic acid O4-ethyl ester O1-methyl ester Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C=CC1=CC=CC=C1)O)C(C)(C)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C(/C=C/C1=CC=CC=C1)O)C(C)(C)C(=O)OC

InChI

InChI=1S/C18H24O5/c1-5-23-16(20)15(18(2,3)17(21)22-4)14(19)12-11-13-9-7-6-8-10-13/h6-12,14-15,19H,5H2,1-4H3/b12-11+