[2-methyl-5-(phenylmethyl)-3H-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-5-(phenylmethyl)-3H-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (5-benzyl-2-methyl-3H-benzofuran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-5-(phenylmethyl)-3H-benzofuran-2-yl]methyl ester IUPAC Name: (5-benzyl-2-methyl-3H-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzyl-2-methyl-coumaran-2-yl)methyl ester Formula: C24H24O4S MolecularWeight: 408.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H24O4S/c1-18-8-11-22(12-9-18)29(25,26)27-17-24(2)16-21-15-20(10-13-23(21)28-24)14-19-6-4-3-5-7-19/h3-13,15H,14,16-17H2,1-2H3