[(3R,4R,5S,6E)-5-methanoyl-5,6-dimethyl-4-phenylmethoxy-nona-1,6-dien-3-yl] benzoate

Systemtic Name: [(3R,4R,5S,6E)-5-methanoyl-5,6-dimethyl-4-phenylmethoxy-nona-1,6-dien-3-yl] benzoate Openeye Name: [(E,1R,2R,3S)-2-benzyloxy-3-formyl-3,4-dimethyl-1-vinyl-hept-4-enyl] benzoate CAS Name: benzoic acid [(3R,4R,5S,6E)-5-formyl-5,6-dimethyl-4-phenylmethoxynona-1,6-dien-3-yl] ester IUPAC Name: [(3R,4R,5S,6E)-5-formyl-5,6-dimethyl-4-phenylmethoxynona-1,6-dien-3-yl] benzoate Traditional Name: benzoic acid [(E,1R,2R,3S)-2-benzoxy-3-formyl-3,4-dimethyl-1-vinyl-hept-4-enyl] ester Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(C)(C=O)C(C(C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC/C=C(\C)/[C@](C)(C=O)[C@H]([C@@H](C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C26H30O4/c1-5-13-20(3)26(4,19-27)24(29-18-21-14-9-7-10-15-21)23(6-2)30-25(28)22-16-11-8-12-17-22/h6-17,19,23-24H,2,5,18H2,1,3-4H3/b20-13+/t23-,24+,26+/m1/s1