butyl 1,4-bis(oxidanylidene)-3-(1-phenylpentyl)isochromene-3-carboxylate

Systemtic Name: butyl 1,4-bis(oxidanylidene)-3-(1-phenylpentyl)isochromene-3-carboxylate Openeye Name: butyl 1,4-dioxo-3-(1-phenylpentyl)isochromane-3-carboxylate CAS Name: 1,4-dioxo-3-(1-phenylpentyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid butyl ester IUPAC Name: butyl 1,4-dioxo-3-(1-phenylpentyl)isochromene-3-carboxylate Traditional Name: 1,4-diketo-3-(1-phenylpentyl)isochroman-3-carboxylic acid butyl ester Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C(=O)O2)C(=O)OCCCC

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C(=O)O2)C(=O)OCCCC

InChI

InChI=1S/C25H28O5/c1-3-5-16-21(18-12-8-7-9-13-18)25(24(28)29-17-6-4-2)22(26)19-14-10-11-15-20(19)23(27)30-25/h7-15,21H,3-6,16-17H2,1-2H3