3-(3,5-ditert-butylphenyl)-4-oxidanyl-isochromen-1-one

Systemtic Name: 3-(3,5-ditert-butylphenyl)-4-oxidanyl-isochromen-1-one Openeye Name: 3-(3,5-ditert-butylphenyl)-4-hydroxy-isochromen-1-one CAS Name: 3-(3,5-ditert-butylphenyl)-4-hydroxy-2-benzopyran-1-one IUPAC Name: 3-(3,5-ditert-butylphenyl)-4-hydroxyisochromen-1-one Traditional Name: 3-(3,5-ditert-butylphenyl)-4-hydroxy-isocoumarin Formula: C23H26O3 MolecularWeight: 350.45074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O3/c1-22(2,3)15-11-14(12-16(13-15)23(4,5)6)20-19(24)17-9-7-8-10-18(17)21(25)26-20/h7-13,24H,1-6H3