6-[1,6-bis(oxidanyl)hexyl]-2-methoxy-5-oxidanyl-7-[(E)-4-oxidanylbut-2-enyl]naphthalene-1,4-dione

Systemtic Name: 6-[1,6-bis(oxidanyl)hexyl]-2-methoxy-5-oxidanyl-7-[(E)-4-oxidanylbut-2-enyl]naphthalene-1,4-dione Openeye Name: 6-(1,6-dihydroxyhexyl)-5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-2-methoxy-naphthalene-1,4-dione CAS Name: 6-(1,6-dihydroxyhexyl)-5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-2-methoxynaphthalene-1,4-dione IUPAC Name: 6-(1,6-dihydroxyhexyl)-5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-2-methoxynaphthalene-1,4-dione Traditional Name: 6-(1,6-dihydroxyhexyl)-5-hydroxy-7-[(E)-4-hydroxybut-2-enyl]-2-methoxy-1,4-naphthoquinone Formula: C21H26O7 MolecularWeight: 390.42694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C2=C(C(=C(C=C2C1=O)CC=CCO)C(CCCCCO)O)O

Isomeric SMILES

COC1=CC(=O)C2=C(C(=C(C=C2C1=O)C/C=C/CO)C(CCCCCO)O)O

InChI

InChI=1S/C21H26O7/c1-28-17-12-16(25)19-14(20(17)26)11-13(7-4-6-10-23)18(21(19)27)15(24)8-3-2-5-9-22/h4,6,11-12,15,22-24,27H,2-3,5,7-10H2,1H3/b6-4+