[(2S)-hept-6-en-2-yl] 2,4-bis(oxidanyl)-6-(2-oxidanylidenebut-3-enyl)benzoate

Systemtic Name: [(2S)-hept-6-en-2-yl] 2,4-bis(oxidanyl)-6-(2-oxidanylidenebut-3-enyl)benzoate Openeye Name: [(1S)-1-methylhex-5-enyl] 2,4-dihydroxy-6-(2-oxobut-3-enyl)benzoate CAS Name: 2,4-dihydroxy-6-(2-oxobut-3-enyl)benzoic acid [(2S)-hept-6-en-2-yl] ester IUPAC Name: [(2S)-hept-6-en-2-yl] 2,4-dihydroxy-6-(2-oxobut-3-enyl)benzoate Traditional Name: 2,4-dihydroxy-6-(2-ketobut-3-enyl)benzoic acid [(1S)-1-methylhex-5-enyl] ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=C)OC(=O)C1=C(C=C(C=C1CC(=O)C=C)O)O

Isomeric SMILES

C[C@@H](CCCC=C)OC(=O)C1=C(C=C(C=C1CC(=O)C=C)O)O

InChI

InChI=1S/C18H22O5/c1-4-6-7-8-12(3)23-18(22)17-13(9-14(19)5-2)10-15(20)11-16(17)21/h4-5,10-12,20-21H,1-2,6-9H2,3H3/t12-/m0/s1