2-(2-oxidanylidenepropyl)-3-(1-oxidanyl-1-phenyl-ethyl)naphthalene-1,4-dione

Systemtic Name: 2-(2-oxidanylidenepropyl)-3-(1-oxidanyl-1-phenyl-ethyl)naphthalene-1,4-dione Openeye Name: 2-acetonyl-3-(1-hydroxy-1-phenyl-ethyl)naphthalene-1,4-dione CAS Name: 2-(1-hydroxy-1-phenylethyl)-3-(2-oxopropyl)naphthalene-1,4-dione IUPAC Name: 2-(1-hydroxy-1-phenylethyl)-3-(2-oxopropyl)naphthalene-1,4-dione Traditional Name: 2-acetonyl-3-(1-hydroxy-1-phenyl-ethyl)-1,4-naphthoquinone Formula: C21H18O4 MolecularWeight: 334.36522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(=O)C2=CC=CC=C2C1=O)C(C)(C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)CC1=C(C(=O)C2=CC=CC=C2C1=O)C(C)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H18O4/c1-13(22)12-17-18(21(2,25)14-8-4-3-5-9-14)20(24)16-11-7-6-10-15(16)19(17)23/h3-11,25H,12H2,1-2H3