6-(hydroxymethyl)-2,5,8-trimethoxy-3-(2-oxidanylidenepropyl)naphthalene-1,4-dione

Systemtic Name: 6-(hydroxymethyl)-2,5,8-trimethoxy-3-(2-oxidanylidenepropyl)naphthalene-1,4-dione Openeye Name: 3-acetonyl-6-(hydroxymethyl)-2,5,8-trimethoxy-naphthalene-1,4-dione CAS Name: 6-(hydroxymethyl)-2,5,8-trimethoxy-3-(2-oxopropyl)naphthalene-1,4-dione IUPAC Name: 6-(hydroxymethyl)-2,5,8-trimethoxy-3-(2-oxopropyl)naphthalene-1,4-dione Traditional Name: 3-acetonyl-2,5,8-trimethoxy-6-methylol-1,4-naphthoquinone Formula: C17H18O7 MolecularWeight: 334.32062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(=O)C2=C(C=C(C(=C2C1=O)OC)CO)OC)OC

Isomeric SMILES

CC(=O)CC1=C(C(=O)C2=C(C=C(C(=C2C1=O)OC)CO)OC)OC

InChI

InChI=1S/C17H18O7/c1-8(19)5-10-14(20)13-12(15(21)17(10)24-4)11(22-2)6-9(7-18)16(13)23-3/h6,18H,5,7H2,1-4H3