2-azanylethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid

Systemtic Name: 2-azanylethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid Openeye Name: 2-aminoethanol; 4-(1-isobutyl-2,4,4-trimethyl-pentyl)benzenesulfonic acid CAS Name: 2-aminoethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid IUPAC Name: 2-aminoethanol; 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid Traditional Name: 2-aminoethanol; 4-(1-isobutyl-2,4,4-trimethyl-pentyl)besylic acid Formula: C20H37NO4S MolecularWeight: 387.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)S(=O)(=O)O)C(C)CC(C)(C)C.C(CO)N

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)S(=O)(=O)O)C(C)CC(C)(C)C.C(CO)N

InChI

InChI=1S/C18H30O3S.C2H7NO/c1-13(2)11-17(14(3)12-18(4,5)6)15-7-9-16(10-8-15)22(19,20)21;3-1-2-4/h7-10,13-14,17H,11-12H2,1-6H3,(H,19,20,21);4H,1-3H2