2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate

Systemtic Name: 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate Openeye Name: 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCO2)C=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCO2)C=C(C=C3)OCC

InChI

InChI=1S/C23H30O6S/c1-3-18-7-10-21(11-8-18)30(24,25)29-15-14-26-17-23-22-12-9-20(27-4-2)16-19(22)6-5-13-28-23/h7-12,16,23H,3-6,13-15,17H2,1-2H3