butanoic acid; pyrene-4-carboxylic acid

Systemtic Name: butanoic acid; pyrene-4-carboxylic acid Openeye Name: butyric acid; pyrene-4-carboxylic acid CAS Name: butanoic acid; 4-pyrenecarboxylic acid IUPAC Name: butanoic acid; pyrene-4-carboxylic acid Traditional Name: butyric acid; pyrene-4-carboxylic acid Formula: C21H18O4 MolecularWeight: 334.36522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10O2.C4H8O2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12;1-2-3-4(5)6/h1-9H,(H,18,19);2-3H2,1H3,(H,5,6)