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

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

Systemtic Name:2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate
Openeye Name:2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate
CAS Name:4-ethylbenzenesulfonic acid 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester
IUPAC Name:2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-ethylbenzenesulfonate
Traditional Name:4-ethylbenzenesulfonic acid 2-[(7-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester
Formula: C23H30O5S2
MolecularWeight: 450.6113
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCS2)C=C(C=C3)OCC


Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OCCOCC2C3=C(CCCS2)C=C(C=C3)OCC


InChI

InChI=1S/C23H30O5S2/c1-3-18-7-10-21(11-8-18)30(24,25)28-14-13-26-17-23-22-12-9-20(27-4-2)16-19(22)6-5-15-29-23/h7-12,16,23H,3-6,13-15,17H2,1-2H3


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