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

Systemtic Name: (E,6S,7S)-6-ethoxy-7-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6S,7S)-6-ethoxy-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid CAS Name: (E,6S,7S)-6-ethoxy-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-2-heptenoic acid IUPAC Name: (E,6S,7S)-6-ethoxy-7-hydroxy-7-(3-hydroxy-4-methoxyphenyl)hept-2-enoic acid Traditional Name: (E,6S,7S)-6-ethoxy-7-hydroxy-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O6/c1-3-22-14(6-4-5-7-15(18)19)16(20)11-8-9-13(21-2)12(17)10-11/h5,7-10,14,16-17,20H,3-4,6H2,1-2H3,(H,18,19)/b7-5+/t14-,16-/m0/s1