diethyl-[2-(1-phenylcyclopentyl)carbonyloxyethyl]azanium; ethane-1,2-disulfonate

Systemtic Name: diethyl-[2-(1-phenylcyclopentyl)carbonyloxyethyl]azanium; ethane-1,2-disulfonate Openeye Name: diethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]ammonium; ethane-1,2-disulfonate CAS Name: diethyl-[2-[oxo-(1-phenylcyclopentyl)methoxy]ethyl]ammonium; ethane-1,2-disulfonate IUPAC Name: diethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]azanium; ethane-1,2-disulfonate Traditional Name: diethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]ammonium; ethane-1,2-disulfonate Formula: C38H60N2O10S2 MolecularWeight: 769.0204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CC[NH+](CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CC[NH+](CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C18H27NO2.C2H6O6S2/c2*1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;3-9(4,5)1-2-10(6,7)8/h2*5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)