6,13-diphenyl-9,10-bis(phenylcarbonyl)pentacene-5,14-dione

Systemtic Name: 6,13-diphenyl-9,10-bis(phenylcarbonyl)pentacene-5,14-dione Openeye Name: 9,10-dibenzoyl-6,13-diphenyl-pentacene-5,14-dione CAS Name: 9,10-dibenzoyl-6,13-diphenylpentacene-5,14-dione IUPAC Name: 9,10-dibenzoyl-6,13-diphenylpentacene-5,14-dione Traditional Name: 9,10-dibenzoyl-6,13-diphenyl-pentacene-5,14-quinone Formula: C48H28O4 MolecularWeight: 668.73352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(C4=C2C=C5C=C(C(=CC5=C4)C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(C4=C2C=C5C=C(C(=CC5=C4)C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O

InChI

InChI=1S/C48H28O4/c49-45(31-19-9-3-10-20-31)39-27-33-25-37-38(26-34(33)28-40(39)46(50)32-21-11-4-12-22-32)42(30-17-7-2-8-18-30)44-43(41(37)29-15-5-1-6-16-29)47(51)35-23-13-14-24-36(35)48(44)52/h1-28H