methyl (2E,4S,6Z)-4,9-bis(oxidanyl)-12-phenylmethoxy-dodeca-2,6-dien-10-ynoate

Systemtic Name: methyl (2E,4S,6Z)-4,9-bis(oxidanyl)-12-phenylmethoxy-dodeca-2,6-dien-10-ynoate Openeye Name: methyl (2E,4S,6Z)-12-benzyloxy-4,9-dihydroxy-dodeca-2,6-dien-10-ynoate CAS Name: (2E,4S,6Z)-4,9-dihydroxy-12-phenylmethoxydodeca-2,6-dien-10-ynoic acid methyl ester IUPAC Name: methyl (2E,4S,6Z)-4,9-dihydroxy-12-phenylmethoxydodeca-2,6-dien-10-ynoate Traditional Name: (2E,4S,6Z)-12-benzoxy-4,9-dihydroxy-dodeca-2,6-dien-10-ynoic acid methyl ester Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC=CCC(C#CCOCC1=CC=CC=C1)O)O

Isomeric SMILES

COC(=O)/C=C/[C@H](C/C=C\CC(C#CCOCC1=CC=CC=C1)O)O

InChI

InChI=1S/C20H24O5/c1-24-20(23)14-13-19(22)11-6-5-10-18(21)12-7-15-25-16-17-8-3-2-4-9-17/h2-6,8-9,13-14,18-19,21-22H,10-11,15-16H2,1H3/b6-5-,14-13+/t18?,19-/m0/s1