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

Systemtic Name: 2,5-dimethoxy-7-[(E)-4-oxidanylbut-2-enyl]-6-(1-oxidanylpentyl)naphthalene-1,4-dione Openeye Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2,5-dimethoxy-naphthalene-1,4-dione CAS Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2,5-dimethoxynaphthalene-1,4-dione IUPAC Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2,5-dimethoxynaphthalene-1,4-dione Traditional Name: 7-[(E)-4-hydroxybut-2-enyl]-6-(1-hydroxypentyl)-2,5-dimethoxy-1,4-naphthoquinone Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O6/c1-4-5-9-15(23)18-13(8-6-7-10-22)11-14-19(21(18)27-3)16(24)12-17(26-2)20(14)25/h6-7,11-12,15,22-23H,4-5,8-10H2,1-3H3/b7-6+