3-methyl-2-pentanoyl-anthracene-1-carboxylic acid

Systemtic Name: 3-methyl-2-pentanoyl-anthracene-1-carboxylic acid Openeye Name: 3-methyl-2-pentanoyl-anthracene-1-carboxylic acid CAS Name: 3-methyl-2-(1-oxopentyl)-1-anthracenecarboxylic acid IUPAC Name: 3-methyl-2-pentanoylanthracene-1-carboxylic acid Traditional Name: 3-methyl-2-valeryl-anthracene-1-carboxylic acid Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)C(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)C(=O)O

InChI

InChI=1S/C21H20O3/c1-3-4-9-18(22)19-13(2)10-16-11-14-7-5-6-8-15(14)12-17(16)20(19)21(23)24/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)