2-[9,10-bis(oxidanylidene)phenanthren-3-yl]ethyl 9,10-bis(oxidanylidene)phenanthrene-3-carboxylate

Systemtic Name: 2-[9,10-bis(oxidanylidene)phenanthren-3-yl]ethyl 9,10-bis(oxidanylidene)phenanthrene-3-carboxylate Openeye Name: 2-(9,10-dioxo-3-phenanthryl)ethyl 9,10-dioxophenanthrene-3-carboxylate CAS Name: 9,10-dioxo-3-phenanthrenecarboxylic acid 2-(9,10-dioxo-3-phenanthrenyl)ethyl ester IUPAC Name: 2-(9,10-dioxophenanthren-3-yl)ethyl 9,10-dioxophenanthrene-3-carboxylate Traditional Name: 9,10-diketophenanthrene-3-carboxylic acid 2-(9,10-diketo-3-phenanthryl)ethyl ester Formula: C31H18O6 MolecularWeight: 486.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC(=C3)CCOC(=O)C4=CC5=C(C=C4)C(=O)C(=O)C6=CC=CC=C65)C(=O)C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)CCOC(=O)C4=CC5=C(C=C4)C(=O)C(=O)C6=CC=CC=C65)C(=O)C2=O

InChI

InChI=1S/C31H18O6/c32-27-21-7-3-1-5-19(21)25-15-17(9-11-23(25)29(27)34)13-14-37-31(36)18-10-12-24-26(16-18)20-6-2-4-8-22(20)28(33)30(24)35/h1-12,15-16H,13-14H2