disodium; N-ethylethanamine; 3-(4-methylphenoxy)-3,3-diphenyl-propane-1-sulfonic acid

Systemtic Name: disodium; N-ethylethanamine; 3-(4-methylphenoxy)-3,3-diphenyl-propane-1-sulfonic acid Openeye Name: disodium; N-ethylethanamine; 3-(4-methylphenoxy)-3,3-diphenyl-propane-1-sulfonic acid CAS Name: disodium; N-ethylethanamine; 3-(4-methylphenoxy)-3,3-diphenyl-1-propanesulfonic acid IUPAC Name: disodium; N-ethylethanamine; 3-(4-methylphenoxy)-3,3-diphenylpropane-1-sulfonic acid Traditional Name: disodium; diethylamine; 3-(4-methylphenoxy)-3,3-diphenyl-propane-1-sulfonic acid Formula: C26H33NNa2O4S+2 MolecularWeight: 501.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC=C(C=C1)OC(CCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+]

Isomeric SMILES

CCNCC.CC1=CC=C(C=C1)OC(CCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+]

InChI

InChI=1S/C22H22O4S.C4H11N.2Na/c1-18-12-14-21(15-13-18)26-22(16-17-27(23,24)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-3-5-4-2;;/h2-15H,16-17H2,1H3,(H,23,24,25);5H,3-4H2,1-2H3;;/q;;2*+1