4-[(2-methyl-3-phenyl-oxiran-2-yl)methyl]benzenesulfonate

Systemtic Name: 4-[(2-methyl-3-phenyl-oxiran-2-yl)methyl]benzenesulfonate Openeye Name: 4-[(2-methyl-3-phenyl-oxiran-2-yl)methyl]benzenesulfonate CAS Name: 4-[(2-methyl-3-phenyl-2-oxiranyl)methyl]benzenesulfonate IUPAC Name: 4-[(2-methyl-3-phenyloxiran-2-yl)methyl]benzenesulfonate Traditional Name: 4-[(2-methyl-3-phenyl-oxiran-2-yl)methyl]besylate Formula: C16H15O4S- MolecularWeight: 303.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)C2=CC=CC=C2)CC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1(C(O1)C2=CC=CC=C2)CC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C16H16O4S/c1-16(15(20-16)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)21(17,18)19/h2-10,15H,11H2,1H3,(H,17,18,19)/p-1