4-methyl-5,7-bis(3-methylbut-2-enoxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-5,7-bis(3-methylbut-2-enoxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-5,7-bis(3-methylbut-2-enoxy)chromen-2-one CAS Name: 4-methyl-5,7-bis(3-methylbut-2-enoxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-5,7-bis(3-methylbut-2-enoxy)chromen-2-one Traditional Name: 3-benzyl-4-methyl-5,7-bis(3-methylbut-2-enoxy)coumarin Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC=C(C)C)OCC=C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC=C(C)C)OCC=C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H30O4/c1-18(2)11-13-29-22-16-24(30-14-12-19(3)4)26-20(5)23(27(28)31-25(26)17-22)15-21-9-7-6-8-10-21/h6-12,16-17H,13-15H2,1-5H3