2,5-dimethoxy-7-[(E)-4-oxidanylbut-2-enyl]-6-[oxidanyl(phenyl)methyl]naphthalene-1,4-dione

Systemtic Name: 2,5-dimethoxy-7-[(E)-4-oxidanylbut-2-enyl]-6-[oxidanyl(phenyl)methyl]naphthalene-1,4-dione Openeye Name: 7-[(E)-4-hydroxybut-2-enyl]-6-[hydroxy(phenyl)methyl]-2,5-dimethoxy-naphthalene-1,4-dione CAS Name: 7-[(E)-4-hydroxybut-2-enyl]-6-[hydroxy(phenyl)methyl]-2,5-dimethoxynaphthalene-1,4-dione IUPAC Name: 7-[(E)-4-hydroxybut-2-enyl]-6-[hydroxy(phenyl)methyl]-2,5-dimethoxynaphthalene-1,4-dione Traditional Name: 7-[(E)-4-hydroxybut-2-enyl]-6-[hydroxy(phenyl)methyl]-2,5-dimethoxy-1,4-naphthoquinone Formula: C23H22O6 MolecularWeight: 394.41718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C2=C(C(=C(C=C2C1=O)CC=CCO)C(C3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=CC(=O)C2=C(C(=C(C=C2C1=O)C/C=C/CO)C(C3=CC=CC=C3)O)OC

InChI

InChI=1S/C23H22O6/c1-28-18-13-17(25)20-16(22(18)27)12-15(10-6-7-11-24)19(23(20)29-2)21(26)14-8-4-3-5-9-14/h3-9,12-13,21,24,26H,10-11H2,1-2H3/b7-6+