(E,6S,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enoic acid Openeye Name: (E,6S,7S)-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)-6-phenoxy-hept-2-enoic acid CAS Name: (E,6S,7S)-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-6-phenoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-6-phenoxyhept-2-enoic acid Traditional Name: (E,6S,7S)-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)-6-phenoxy-hept-2-enoic acid Formula: C20H22O6 MolecularWeight: 358.38508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCC=CC(=O)O)OC2=CC=CC=C2)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CC/C=C/C(=O)O)OC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H22O6/c1-25-17-12-11-14(13-16(17)21)20(24)18(9-5-6-10-19(22)23)26-15-7-3-2-4-8-15/h2-4,6-8,10-13,18,20-21,24H,5,9H2,1H3,(H,22,23)/b10-6+/t18-,20-/m0/s1