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

Systemtic Name: (E,6S,7R)-7-(4-methoxy-3-oxidanyl-phenyl)-6-methyl-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6S,7R)-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)-6-methyl-hept-2-enoic acid CAS Name: (E,6S,7R)-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-heptenoic acid IUPAC Name: (E,6S,7R)-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-6-methylhept-2-enoic acid Traditional Name: (E,6S,7R)-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)-6-methyl-hept-2-enoic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5/c1-10(5-3-4-6-14(17)18)15(19)11-7-8-13(20-2)12(16)9-11/h4,6-10,15-16,19H,3,5H2,1-2H3,(H,17,18)/b6-4+/t10-,15+/m0/s1