4-oxidanyl-3-(2,4,6-trimethylphenyl)isochromen-1-one

Systemtic Name: 4-oxidanyl-3-(2,4,6-trimethylphenyl)isochromen-1-one Openeye Name: 4-hydroxy-3-(2,4,6-trimethylphenyl)isochromen-1-one CAS Name: 4-hydroxy-3-(2,4,6-trimethylphenyl)-2-benzopyran-1-one IUPAC Name: 4-hydroxy-3-(2,4,6-trimethylphenyl)isochromen-1-one Traditional Name: 4-hydroxy-3-mesityl-isocoumarin Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C(=O)O2)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C(=O)O2)O)C

InChI

InChI=1S/C18H16O3/c1-10-8-11(2)15(12(3)9-10)17-16(19)13-6-4-5-7-14(13)18(20)21-17/h4-9,19H,1-3H3