2-azanylethanol; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 2-azanylethanol; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 2-aminoethanol; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 2-aminoethanol; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 2-aminoethanol; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 2-aminoethanol; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C22H45NO8S MolecularWeight: 483.6596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.C2H7NO/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;3-1-2-4/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H,1-3H2