3-chloranyl-4,6-bis(oxidanyl)-2-pent-4-enyl-benzoic acid

Systemtic Name: 3-chloranyl-4,6-bis(oxidanyl)-2-pent-4-enyl-benzoic acid Openeye Name: 3-chloro-4,6-dihydroxy-2-pent-4-enyl-benzoic acid CAS Name: 3-chloro-4,6-dihydroxy-2-pent-4-enylbenzoic acid IUPAC Name: 3-chloro-4,6-dihydroxy-2-pent-4-enylbenzoic acid Traditional Name: 3-chloro-4,6-dihydroxy-2-pent-4-enyl-benzoic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=C(C(=CC(=C1Cl)O)O)C(=O)O

Isomeric SMILES

C=CCCCC1=C(C(=CC(=C1Cl)O)O)C(=O)O

InChI

InChI=1S/C12H13ClO4/c1-2-3-4-5-7-10(12(16)17)8(14)6-9(15)11(7)13/h2,6,14-15H,1,3-5H2,(H,16,17)