2-pyren-4-ylethanoic acid

Systemtic Name: 2-pyren-4-ylethanoic acid Openeye Name: 2-pyren-4-ylacetic acid CAS Name: 2-(4-pyrenyl)acetic acid IUPAC Name: 2-pyren-4-ylacetic acid Traditional Name: 2-pyren-4-ylacetic acid Formula: C18H12O2 MolecularWeight: 260.28668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)CC(=O)O

InChI

InChI=1S/C18H12O2/c19-16(20)10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)18(12)17(11)13/h1-9H,10H2,(H,19,20)