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

Systemtic Name: 2-azanylethanol; 2,2-di(nonan-3-yl)-3-sulfo-butanedioic acid Openeye Name: 2-aminoethanol; 2,2-bis(1-ethylheptyl)-3-sulfo-butanedioic acid CAS Name: 2-aminoethanol; 2,2-di(nonan-3-yl)-3-sulfobutanedioic acid IUPAC Name: 2-aminoethanol; 2,2-di(nonan-3-yl)-3-sulfobutanedioic acid Traditional Name: 2-aminoethanol; 2,2-bis(1-ethylheptyl)-3-sulfo-succinic acid Formula: C28H63N3O10S MolecularWeight: 633.87892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C(C(CC)CCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

Isomeric SMILES

CCCCCCC(CC)C(C(CC)CCCCCC)(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/c1-5-9-11-13-15-17(7-3)22(21(25)26,19(20(23)24)30(27,28)29)18(8-4)16-14-12-10-6-2;3*3-1-2-4/h17-19H,5-16H2,1-4H3,(H,23,24)(H,25,26)(H,27,28,29);3*4H,1-3H2