7-methyl-7-oxidanyl-3-(4-phenylmethoxybutyl)isochromene-6,8-dione

Systemtic Name: 7-methyl-7-oxidanyl-3-(4-phenylmethoxybutyl)isochromene-6,8-dione Openeye Name: 3-(4-benzyloxybutyl)-7-hydroxy-7-methyl-isochromene-6,8-dione CAS Name: 7-hydroxy-7-methyl-3-(4-phenylmethoxybutyl)-2-benzopyran-6,8-dione IUPAC Name: 7-hydroxy-7-methyl-3-(4-phenylmethoxybutyl)isochromene-6,8-dione Traditional Name: 3-(4-benzoxybutyl)-7-hydroxy-7-methyl-isochromene-6,8-quinone Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCCOCC3=CC=CC=C3)O

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)CCCCOCC3=CC=CC=C3)O

InChI

InChI=1S/C21H22O5/c1-21(24)19(22)12-16-11-17(26-14-18(16)20(21)23)9-5-6-10-25-13-15-7-3-2-4-8-15/h2-4,7-8,11-12,14,24H,5-6,9-10,13H2,1H3