2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-indene-1,3-dione

Systemtic Name: 2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-indene-1,3-dione Openeye Name: 2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-indane-1,3-dione CAS Name: 2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxyindene-1,3-dione IUPAC Name: 2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxyindene-1,3-dione Traditional Name: 2,2-bis[bis(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-indane-1,3-quinone Formula: C45H46O12 MolecularWeight: 778.83954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)C3(C(=O)C4=CC(=C(C=C4C3=O)OC)OC)C(C5=CC(=C(C=C5)OC)OC)C6=CC(=C(C=C6)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OC)OC)C3(C(=O)C4=CC(=C(C=C4C3=O)OC)OC)C(C5=CC(=C(C=C5)OC)OC)C6=CC(=C(C=C6)OC)OC)OC

InChI

InChI=1S/C45H46O12/c1-48-31-15-11-25(19-35(31)52-5)41(26-12-16-32(49-2)36(20-26)53-6)45(43(46)29-23-39(56-9)40(57-10)24-30(29)44(45)47)42(27-13-17-33(50-3)37(21-27)54-7)28-14-18-34(51-4)38(22-28)55-8/h11-24,41-42H,1-10H3