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

Systemtic Name: 2-diethylaminoethyl 1-phenylcyclopentane-1-carboxylate; ethane-1,2-disulfonic acid Openeye Name: 2-diethylaminoethyl 1-phenylcyclopentanecarboxylate; ethane-1,2-disulfonic acid CAS Name: ethane-1,2-disulfonic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-phenylcyclopentane-1-carboxylate; ethane-1,2-disulfonic acid Traditional Name: ethane-1,2-disulfonic acid; 1-phenylcyclopentanecarboxylic acid 2-diethylaminoethyl ester Formula: C38H60N2O10S2 MolecularWeight: 769.0204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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