2-pyren-1-ylhexanoic acid

Systemtic Name: 2-pyren-1-ylhexanoic acid Openeye Name: 2-pyren-1-ylhexanoic acid CAS Name: 2-(1-pyrenyl)hexanoic acid IUPAC Name: 2-pyren-1-ylhexanoic acid Traditional Name: 2-pyren-1-ylhexanoic acid Formula: C22H20O2 MolecularWeight: 316.393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O

Isomeric SMILES

CCCCC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O

InChI

InChI=1S/C22H20O2/c1-2-3-7-19(22(23)24)17-12-10-16-9-8-14-5-4-6-15-11-13-18(17)21(16)20(14)15/h4-6,8-13,19H,2-3,7H2,1H3,(H,23,24)