2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate

Systemtic Name: 2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate Openeye Name: 2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-[(7,8,9-trimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester Formula: C22H27NO10S MolecularWeight: 497.51548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(OCCCC2=C1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(OCCCC2=C1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27NO10S/c1-28-18-13-15-5-4-10-32-19(20(15)22(30-3)21(18)29-2)14-31-11-12-33-34(26,27)17-8-6-16(7-9-17)23(24)25/h6-9,13,19H,4-5,10-12,14H2,1-3H3