methyl (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-ylidene]oct-2-enoate

Systemtic Name: methyl (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-ylidene]oct-2-enoate Openeye Name: methyl (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-ylidene]oct-2-enoate CAS Name: (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydro-2-benzopyran-8-ylidene]-2-octenoic acid methyl ester IUPAC Name: methyl (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-ylidene]oct-2-enoate Traditional Name: (E,8E)-8-[(3R,4aR)-3-ethoxy-3,4,4a,5,6,7-hexahydroisochromen-8-ylidene]oct-2-enoic acid methyl ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC2CCCC(=CCCCCC=CC(=O)OC)C2=CO1

Isomeric SMILES

CCO[C@H]1C[C@H]2CCC/C(=C\CCCC/C=C/C(=O)OC)/C2=CO1

InChI

InChI=1S/C20H30O4/c1-3-23-20-14-17-12-9-11-16(18(17)15-24-20)10-7-5-4-6-8-13-19(21)22-2/h8,10,13,15,17,20H,3-7,9,11-12,14H2,1-2H3/b13-8+,16-10+/t17-,20-/m1/s1