[5-(cyclopropylmethyl)-2,3-dimethyl-6-(phenylcarbonyloxymethoxysulfonyl)phenyl]methyl benzoate

Systemtic Name: [5-(cyclopropylmethyl)-2,3-dimethyl-6-(phenylcarbonyloxymethoxysulfonyl)phenyl]methyl benzoate Openeye Name: [2-(benzoyloxymethoxysulfonyl)-3-(cyclopropylmethyl)-5,6-dimethyl-phenyl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethoxysulfonyl)-3-(cyclopropylmethyl)-5,6-dimethylphenyl]methyl ester IUPAC Name: [2-(benzoyloxymethoxysulfonyl)-3-(cyclopropylmethyl)-5,6-dimethylphenyl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethoxysulfonyl)-3-(cyclopropylmethyl)-5,6-dimethyl-benzyl] ester Formula: C28H28O7S MolecularWeight: 508.58272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)COC(=O)C2=CC=CC=C2)S(=O)(=O)OCOC(=O)C3=CC=CC=C3)CC4CC4

Isomeric SMILES

CC1=CC(=C(C(=C1C)COC(=O)C2=CC=CC=C2)S(=O)(=O)OCOC(=O)C3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C28H28O7S/c1-19-15-24(16-21-13-14-21)26(25(20(19)2)17-33-27(29)22-9-5-3-6-10-22)36(31,32)35-18-34-28(30)23-11-7-4-8-12-23/h3-12,15,21H,13-14,16-18H2,1-2H3