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

Systemtic Name: 2-[(7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate Openeye Name: 2-[(7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-[(7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-[(7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl ester Formula: C23H29NO10S MolecularWeight: 511.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C(=C2C(OC1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC1CC2=CC(=C(C(=C2C(OC1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C23H29NO10S/c1-15-11-16-12-19(29-2)22(30-3)23(31-4)21(16)20(33-13-15)14-32-9-10-34-35(27,28)18-7-5-17(6-8-18)24(25)26/h5-8,12,15,20H,9-11,13-14H2,1-4H3