3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)-1-benzopyran-4,7-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-quinone Formula: C27H28O6 MolecularWeight: 448.50762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C2=C(C=C(C1=O)OC)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)CC=C(C)C)C

Isomeric SMILES

CC(=CCC1(C2=C(C=C(C1=O)OC)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)CC=C(C)C)C

InChI

InChI=1S/C27H28O6/c1-16(2)8-10-27(11-9-17(3)4)25(29)23(30-5)13-19-24(28)20(14-31-26(19)27)18-6-7-21-22(12-18)33-15-32-21/h6-9,12-14H,10-11,15H2,1-5H3