2-[(E,3R,4S)-3,4-bis(oxidanyl)non-1-enyl]-6-oxidanyl-benzoate

Systemtic Name: 2-[(E,3R,4S)-3,4-bis(oxidanyl)non-1-enyl]-6-oxidanyl-benzoate Openeye Name: 2-[(E,3R,4S)-3,4-dihydroxynon-1-enyl]-6-hydroxy-benzoate CAS Name: 2-[(E,3R,4S)-3,4-dihydroxynon-1-enyl]-6-hydroxybenzoate IUPAC Name: 2-[(E,3R,4S)-3,4-dihydroxynon-1-enyl]-6-hydroxybenzoate Traditional Name: 2-[(E,3R,4S)-3,4-dihydroxynon-1-enyl]-6-hydroxy-benzoate Formula: C16H21O5- MolecularWeight: 293.33494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C=CC1=C(C(=CC=C1)O)C(=O)[O-])O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5/c1-2-3-4-7-12(17)13(18)10-9-11-6-5-8-14(19)15(11)16(20)21/h5-6,8-10,12-13,17-19H,2-4,7H2,1H3,(H,20,21)/p-1/b10-9+/t12-,13+/m0/s1