2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitro-benzenesulfonate

Systemtic Name: 2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitro-benzenesulfonate Openeye Name: 2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitro-benzenesulfonate CAS Name: 2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitrobenzenesulfonate IUPAC Name: 2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitrobenzenesulfonate Traditional Name: 2-[1-[(9-methoxy-8-propyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-nitro-besylate Formula: C23H28NO8S- MolecularWeight: 478.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(CCCOC2COC(C)C3=C(C=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])C=C1)OC

Isomeric SMILES

CCCC1=C(C2=C(CCCOC2COC(C)C3=C(C=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])C=C1)OC

InChI

InChI=1S/C23H29NO8S/c1-4-6-17-9-8-16-7-5-12-31-20(22(16)23(17)30-3)14-32-15(2)19-13-18(24(25)26)10-11-21(19)33(27,28)29/h8-11,13,15,20H,4-7,12,14H2,1-3H3,(H,27,28,29)/p-1