2-azanylethanol; 2,2-bis(2-ethylhexyl)-3-sulfo-butanedioic acid

Systemtic Name: 2-azanylethanol; 2,2-bis(2-ethylhexyl)-3-sulfo-butanedioic acid Openeye Name: 2-aminoethanol; 2,2-bis(2-ethylhexyl)-3-sulfo-butanedioic acid CAS Name: 2-aminoethanol; 2,2-bis(2-ethylhexyl)-3-sulfobutanedioic acid IUPAC Name: 2-aminoethanol; 2,2-bis(2-ethylhexyl)-3-sulfobutanedioic acid Traditional Name: 2-aminoethanol; 2,2-bis(2-ethylhexyl)-3-sulfo-succinic acid Formula: C26H59N3O10S MolecularWeight: 605.82576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

InChI

InChI=1S/C20H38O7S.3C2H7NO/c1-5-9-11-15(7-3)13-20(19(23)24,14-16(8-4)12-10-6-2)17(18(21)22)28(25,26)27;3*3-1-2-4/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);3*4H,1-3H2