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2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate

2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate

Systemtic Name:2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate
Openeye Name:2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate
CAS Name:4-nitrobenzenesulfonic acid 2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester
IUPAC Name:2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl 4-nitrobenzenesulfonate
Traditional Name:4-nitrobenzenesulfonic acid 2-[(9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin-1-yl)methoxy]ethyl ester
Formula: C23H29NO7S2
MolecularWeight: 495.60886
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(SCCCC2=C1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC


Isomeric SMILES

CCCC1=CC(=C2C(SCCCC2=C1)COCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC


InChI

InChI=1S/C23H29NO7S2/c1-3-5-17-14-18-6-4-13-32-22(23(18)21(15-17)29-2)16-30-11-12-31-33(27,28)20-9-7-19(8-10-20)24(25)26/h7-10,14-15,22H,3-6,11-13,16H2,1-2H3


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