6,7-bis(hydroxymethyl)-3-(2-oxidanylidenepropyl)-4-phenyl-chromen-2-one

Systemtic Name: 6,7-bis(hydroxymethyl)-3-(2-oxidanylidenepropyl)-4-phenyl-chromen-2-one Openeye Name: 3-acetonyl-6,7-bis(hydroxymethyl)-4-phenyl-chromen-2-one CAS Name: 6,7-bis(hydroxymethyl)-3-(2-oxopropyl)-4-phenyl-1-benzopyran-2-one IUPAC Name: 6,7-bis(hydroxymethyl)-3-(2-oxopropyl)-4-phenylchromen-2-one Traditional Name: 3-acetonyl-6,7-dimethylol-4-phenyl-coumarin Formula: C20H18O5 MolecularWeight: 338.35392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)CO)CO)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)CO)CO)C3=CC=CC=C3

InChI

InChI=1S/C20H18O5/c1-12(23)7-17-19(13-5-3-2-4-6-13)16-8-14(10-21)15(11-22)9-18(16)25-20(17)24/h2-6,8-9,21-22H,7,10-11H2,1H3