[4-(phenylmethyl)sulfonylphenyl]methyl 4-butoxybenzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 4-butoxybenzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-benzylsulfonylbenzyl) ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H26O5S/c1-2-3-17-29-23-13-11-22(12-14-23)25(26)30-18-20-9-15-24(16-10-20)31(27,28)19-21-7-5-4-6-8-21/h4-16H,2-3,17-19H2,1H3