2-azanylethanol; 2,2-didodecyl-3-sulfo-butanedioic acid

Systemtic Name: 2-azanylethanol; 2,2-didodecyl-3-sulfo-butanedioic acid Openeye Name: 2-aminoethanol; 2,2-didodecyl-3-sulfo-butanedioic acid CAS Name: 2-aminoethanol; 2,2-didodecyl-3-sulfobutanedioic acid IUPAC Name: 2-aminoethanol; 2,2-didodecyl-3-sulfobutanedioic acid Traditional Name: 2-aminoethanol; 2,2-dilauryl-3-sulfo-succinic acid Formula: C34H75N3O10S MolecularWeight: 718.0384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O.C(CO)N.C(CO)N.C(CO)N

InChI

InChI=1S/C28H54O7S.3C2H7NO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27(31)32,25(26(29)30)36(33,34)35)24-22-20-18-16-14-12-10-8-6-4-2;3*3-1-2-4/h25H,3-24H2,1-2H3,(H,29,30)(H,31,32)(H,33,34,35);3*4H,1-3H2