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2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-methoxybenzenesulfonate

2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-methoxybenzenesulfonate

Systemtic Name:2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-methoxybenzenesulfonate
Openeye Name:2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-methoxybenzenesulfonate
CAS Name:4-methoxybenzenesulfonic acid 2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester
IUPAC Name:2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-methoxybenzenesulfonate
Traditional Name:4-methoxybenzenesulfonic acid 2-[(6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester
Formula: C22H28O8S
MolecularWeight: 452.51792
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCO2)C(=C(C=C3)OC)OC


Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCO2)C(=C(C=C3)OC)OC


InChI

InChI=1S/C22H28O8S/c1-25-16-6-8-17(9-7-16)31(23,24)30-14-13-28-15-21-18-10-11-20(26-2)22(27-3)19(18)5-4-12-29-21/h6-11,21H,4-5,12-15H2,1-3H3


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