1-benzoxepin-5-yl 4-methylbenzenesulfonate

Systemtic Name: 1-benzoxepin-5-yl 4-methylbenzenesulfonate Openeye Name: 1-benzoxepin-5-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-benzoxepin-5-yl ester IUPAC Name: 1-benzoxepin-5-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzoxepin-5-yl ester Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=COC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=COC3=CC=CC=C32

InChI

InChI=1S/C17H14O4S/c1-13-8-10-14(11-9-13)22(18,19)21-17-7-4-12-20-16-6-3-2-5-15(16)17/h2-12H,1H3