2-azanylethanol; 2,2-di(nonyl)-3-sulfo-butanedioic acid

Systemtic Name: 2-azanylethanol; 2,2-di(nonyl)-3-sulfo-butanedioic acid Openeye Name: 2-aminoethanol; 2,2-di(nonyl)-3-sulfo-butanedioic acid CAS Name: 2-aminoethanol; 2,2-di(nonyl)-3-sulfobutanedioic acid IUPAC Name: 2-aminoethanol; 2,2-di(nonyl)-3-sulfobutanedioic acid Traditional Name: 2-aminoethanol; 2,2-di(nonyl)-3-sulfo-succinic acid Formula: C28H63N3O10S MolecularWeight: 633.87892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

InChI

InChI=1S/C22H42O7S.3C2H7NO/c1-3-5-7-9-11-13-15-17-22(21(25)26,19(20(23)24)30(27,28)29)18-16-14-12-10-8-6-4-2;3*3-1-2-4/h19H,3-18H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29);3*4H,1-3H2