2-(pyren-1-ylmethylidene)propanedioic acid

Systemtic Name: 2-(pyren-1-ylmethylidene)propanedioic acid Openeye Name: 2-(pyren-1-ylmethylene)propanedioic acid CAS Name: 2-(1-pyrenylmethylidene)propanedioic acid IUPAC Name: 2-(pyren-1-ylmethylidene)propanedioic acid Traditional Name: 2-(pyren-1-ylmethylene)malonic acid Formula: C20H12O4 MolecularWeight: 316.30688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H12O4/c21-19(22)16(20(23)24)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-10H,(H,21,22)(H,23,24)