2,2-bis[2-[9,10-bis(oxidanylidene)phenanthren-3-yl]ethyl]butanedioic acid

Systemtic Name: 2,2-bis[2-[9,10-bis(oxidanylidene)phenanthren-3-yl]ethyl]butanedioic acid Openeye Name: 2,2-bis[2-(9,10-dioxo-3-phenanthryl)ethyl]butanedioic acid CAS Name: 2,2-bis[2-(9,10-dioxo-3-phenanthrenyl)ethyl]butanedioic acid IUPAC Name: 2,2-bis[2-(9,10-dioxophenanthren-3-yl)ethyl]butanedioic acid Traditional Name: 2,2-bis[2-(9,10-diketo-3-phenanthryl)ethyl]succinic acid Formula: C36H26O8 MolecularWeight: 586.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC(=C3)CCC(CCC4=CC5=C(C=C4)C(=O)C(=O)C6=CC=CC=C65)(CC(=O)O)C(=O)O)C(=O)C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)CCC(CCC4=CC5=C(C=C4)C(=O)C(=O)C6=CC=CC=C65)(CC(=O)O)C(=O)O)C(=O)C2=O

InChI

InChI=1S/C36H26O8/c37-30(38)19-36(35(43)44,15-13-20-9-11-26-28(17-20)22-5-1-3-7-24(22)31(39)33(26)41)16-14-21-10-12-27-29(18-21)23-6-2-4-8-25(23)32(40)34(27)42/h1-12,17-18H,13-16,19H2,(H,37,38)(H,43,44)