2-[(E,6R,10S)-6,10-bis(oxidanyl)undec-1-enyl]-6-methoxy-4-oxidanyl-benzoic acid

Systemtic Name: 2-[(E,6R,10S)-6,10-bis(oxidanyl)undec-1-enyl]-6-methoxy-4-oxidanyl-benzoic acid Openeye Name: 2-[(E,6R,10S)-6,10-dihydroxyundec-1-enyl]-4-hydroxy-6-methoxy-benzoic acid CAS Name: 2-[(E,6R,10S)-6,10-dihydroxyundec-1-enyl]-4-hydroxy-6-methoxybenzoic acid IUPAC Name: 2-[(E,6R,10S)-6,10-dihydroxyundec-1-enyl]-4-hydroxy-6-methoxybenzoic acid Traditional Name: 2-[(E,6R,10S)-6,10-dihydroxyundec-1-enyl]-4-hydroxy-6-methoxy-benzoic acid Formula: C19H28O6 MolecularWeight: 352.42202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CCCC=CC1=CC(=CC(=C1C(=O)O)OC)O)O)O

Isomeric SMILES

C[C@@H](CCC[C@@H](CCC/C=C/C1=CC(=CC(=C1C(=O)O)OC)O)O)O

InChI

InChI=1S/C19H28O6/c1-13(20)7-6-10-15(21)9-5-3-4-8-14-11-16(22)12-17(25-2)18(14)19(23)24/h4,8,11-13,15,20-22H,3,5-7,9-10H2,1-2H3,(H,23,24)/b8-4+/t13-,15+/m0/s1