2-phenylbutanoate; 2-phenylindene-1,3-dione

Systemtic Name: 2-phenylbutanoate; 2-phenylindene-1,3-dione Openeye Name: 2-phenylbutanoate; 2-phenylindane-1,3-dione CAS Name: 2-phenylbutanoate; 2-phenylindene-1,3-dione IUPAC Name: 2-phenylbutanoate; 2-phenylindene-1,3-dione Traditional Name: 2-phenylbutyrate; 2-phenylindane-1,3-quinone Formula: C25H21O4- MolecularWeight: 385.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)[O-].C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)[O-].C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10O2.C10H12O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10;1-2-9(10(11)12)8-6-4-3-5-7-8/h1-9,13H;3-7,9H,2H2,1H3,(H,11,12)/p-1