4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxy-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxy-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxy-1,2-benzoquinone CAS Name: 4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxycyclohexa-3,5-diene-1,2-dione Traditional Name: 4,6-bis[bis(4-chlorophenyl)methyl]-3-methoxy-o-benzoquinone Formula: C33H22Cl4O3 MolecularWeight: 608.33798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=O)C1=O)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=C(C=C(C(=O)C1=O)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H22Cl4O3/c1-40-33-28(30(21-6-14-25(36)15-7-21)22-8-16-26(37)17-9-22)18-27(31(38)32(33)39)29(19-2-10-23(34)11-3-19)20-4-12-24(35)13-5-20/h2-18,29-30H,1H3