2-diethylaminoethyl 1-phenylcyclopentane-1-carboxylate; ethane-1,1-disulfonic acid

Systemtic Name: 2-diethylaminoethyl 1-phenylcyclopentane-1-carboxylate; ethane-1,1-disulfonic acid Openeye Name: 2-diethylaminoethyl 1-phenylcyclopentanecarboxylate; ethane-1,1-disulfonic acid CAS Name: ethane-1,1-disulfonic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-phenylcyclopentane-1-carboxylate; ethane-1,1-disulfonic acid Traditional Name: ethane-1,1-disulfonic acid; 1-phenylcyclopentanecarboxylic acid 2-diethylaminoethyl ester Formula: C20H33NO8S2 MolecularWeight: 479.60792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CC(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CC(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H27NO2.C2H6O6S2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;1-2(9(3,4)5)10(6,7)8/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3;2H,1H3,(H,3,4,5)(H,6,7,8)