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

Systemtic Name: 6-(1-hydroxyethyl)-2,5-dimethoxy-7-[(E)-4-oxidanylbut-2-enyl]naphthalene-1,4-dione Openeye Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyethyl)-2,5-dimethoxy-naphthalene-1,4-dione CAS Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyethyl)-2,5-dimethoxynaphthalene-1,4-dione IUPAC Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyethyl)-2,5-dimethoxynaphthalene-1,4-dione Traditional Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxyethyl)-2,5-dimethoxy-1,4-naphthoquinone Formula: C18H20O6 MolecularWeight: 332.3478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C2C(=C1OC)C(=O)C=C(C2=O)OC)CC=CCO)O

Isomeric SMILES

CC(C1=C(C=C2C(=C1OC)C(=O)C=C(C2=O)OC)C/C=C/CO)O

InChI

InChI=1S/C18H20O6/c1-10(20)15-11(6-4-5-7-19)8-12-16(18(15)24-3)13(21)9-14(23-2)17(12)22/h4-5,8-10,19-20H,6-7H2,1-3H3/b5-4+