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3-(5-methoxy-5-oxidanylidene-pent-1-ynyl)benzoic acid

3-(5-methoxy-5-oxidanylidene-pent-1-ynyl)benzoic acid

Systemtic Name:3-(5-methoxy-5-oxidanylidene-pent-1-ynyl)benzoic acid
Openeye Name:3-(5-methoxy-5-oxo-pent-1-ynyl)benzoic acid
CAS Name:3-(5-methoxy-5-oxopent-1-ynyl)benzoic acid
IUPAC Name:3-(5-methoxy-5-oxopent-1-ynyl)benzoic acid
Traditional Name:3-(5-keto-5-methoxy-pent-1-ynyl)benzoic acid
Formula: C13H12O4
MolecularWeight: 232.23198
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC#CC1=CC(=CC=C1)C(=O)O


Isomeric SMILES

COC(=O)CCC#CC1=CC(=CC=C1)C(=O)O


InChI

InChI=1S/C13H12O4/c1-17-12(14)8-3-2-5-10-6-4-7-11(9-10)13(15)16/h4,6-7,9H,3,8H2,1H3,(H,15,16)


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