3,6-bis[4-(4-chlorophenyl)carbonylphenoxy]xanthen-9-one

Systemtic Name: 3,6-bis[4-(4-chlorophenyl)carbonylphenoxy]xanthen-9-one Openeye Name: 3,6-bis[4-(4-chlorobenzoyl)phenoxy]xanthen-9-one CAS Name: 3,6-bis[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-9-xanthenone IUPAC Name: 3,6-bis[4-(4-chlorobenzoyl)phenoxy]xanthen-9-one Traditional Name: 3,6-bis[4-(4-chlorobenzoyl)phenoxy]xanthone Formula: C39H22Cl2O6 MolecularWeight: 657.49438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OC3=CC4=C(C=C3)C(=O)C5=C(O4)C=C(C=C5)OC6=CC=C(C=C6)C(=O)C7=CC=C(C=C7)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OC3=CC4=C(C=C3)C(=O)C5=C(O4)C=C(C=C5)OC6=CC=C(C=C6)C(=O)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C39H22Cl2O6/c40-27-9-1-23(2-10-27)37(42)25-5-13-29(14-6-25)45-31-17-19-33-35(21-31)47-36-22-32(18-20-34(36)39(33)44)46-30-15-7-26(8-16-30)38(43)24-3-11-28(41)12-4-24/h1-22H