2-azanylethanol; 2,2-bis(5-ethylheptan-2-yl)-3-sulfo-butanedioic acid

Systemtic Name: 2-azanylethanol; 2,2-bis(5-ethylheptan-2-yl)-3-sulfo-butanedioic acid Openeye Name: 2-aminoethanol; 2,2-bis(4-ethyl-1-methyl-hexyl)-3-sulfo-butanedioic acid CAS Name: 2-aminoethanol; 2,2-bis(5-ethylheptan-2-yl)-3-sulfobutanedioic acid IUPAC Name: 2-aminoethanol; 2,2-bis(5-ethylheptan-2-yl)-3-sulfobutanedioic acid Traditional Name: 2-aminoethanol; 2,2-bis(4-ethyl-1-methyl-hexyl)-3-sulfo-succinic acid Formula: C28H63N3O10S MolecularWeight: 633.87892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(C)C(C(C)CCC(CC)CC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

Isomeric SMILES

CCC(CC)CCC(C)C(C(C)CCC(CC)CC)(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/c1-7-17(8-2)13-11-15(5)22(21(25)26,19(20(23)24)30(27,28)29)16(6)12-14-18(9-3)10-4;3*3-1-2-4/h15-19H,7-14H2,1-6H3,(H,23,24)(H,25,26)(H,27,28,29);3*4H,1-3H2