4-chrysen-5-ylbutanoic acid

Systemtic Name: 4-chrysen-5-ylbutanoic acid Openeye Name: 4-chrysen-5-ylbutanoic acid CAS Name: 4-(5-chrysenyl)butanoic acid IUPAC Name: 4-chrysen-5-ylbutanoic acid Traditional Name: 4-chrysen-5-ylbutyric acid Formula: C22H18O2 MolecularWeight: 314.37712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC4=CC=CC=C34)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC4=CC=CC=C34)CCCC(=O)O

InChI

InChI=1S/C22H18O2/c23-21(24)11-5-8-17-14-16-7-2-3-9-18(16)20-13-12-15-6-1-4-10-19(15)22(17)20/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,23,24)