4-methyl-3-(phenylmethyl)-7-[(2,3,5,6-tetramethylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-methyl-3-(phenylmethyl)-7-[(2,3,5,6-tetramethylphenyl)methoxy]chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]chromen-2-one CAS Name: 4-methyl-3-(phenylmethyl)-7-[(2,3,5,6-tetramethylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-[(2,3,5,6-tetramethylphenyl)methoxy]chromen-2-one Traditional Name: 3-benzyl-4-methyl-7-(2,3,5,6-tetramethylbenzyl)oxy-coumarin Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)C

InChI

InChI=1S/C28H28O3/c1-17-13-18(2)20(4)26(19(17)3)16-30-23-11-12-24-21(5)25(28(29)31-27(24)15-23)14-22-9-7-6-8-10-22/h6-13,15H,14,16H2,1-5H3