2-[(4-hydroxyphenyl)methyl]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[(4-hydroxyphenyl)methyl]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-[(4-hydroxyphenyl)methyl]-3-methyl-naphthalene-1,4-dione CAS Name: 2-[(4-hydroxyphenyl)methyl]-3-methylnaphthalene-1,4-dione IUPAC Name: 2-[(4-hydroxyphenyl)methyl]-3-methylnaphthalene-1,4-dione Traditional Name: 2-(4-hydroxybenzyl)-3-methyl-1,4-naphthoquinone Formula: C18H14O3 MolecularWeight: 278.30196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C18H14O3/c1-11-16(10-12-6-8-13(19)9-7-12)18(21)15-5-3-2-4-14(15)17(11)20/h2-9,19H,10H2,1H3