3-(4-hydroxyphenyl)-4-methyl-6-oxidanyl-isochromen-1-one

Systemtic Name: 3-(4-hydroxyphenyl)-4-methyl-6-oxidanyl-isochromen-1-one Openeye Name: 6-hydroxy-3-(4-hydroxyphenyl)-4-methyl-isochromen-1-one CAS Name: 6-hydroxy-3-(4-hydroxyphenyl)-4-methyl-2-benzopyran-1-one IUPAC Name: 6-hydroxy-3-(4-hydroxyphenyl)-4-methylisochromen-1-one Traditional Name: 6-hydroxy-3-(4-hydroxyphenyl)-4-methyl-isocoumarin Formula: C16H12O4 MolecularWeight: 268.26408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)C2=C1C=C(C=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(OC(=O)C2=C1C=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H12O4/c1-9-14-8-12(18)6-7-13(14)16(19)20-15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3