[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-oxidanyl-phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-oxidanyl-phenyl] 2-bromanylbenzoate Openeye Name: [3-hydroxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-hydroxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-hydroxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-hydroxy-4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C17H13BrO5 MolecularWeight: 377.18612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2Br)O

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2Br)O

InChI

InChI=1S/C17H13BrO5/c1-22-16(20)9-7-11-6-8-12(10-15(11)19)23-17(21)13-4-2-3-5-14(13)18/h2-10,19H,1H3/b9-7+