2-azanylethanol; 1,4-di(octan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 2-azanylethanol; 1,4-di(octan-3-yloxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 2-aminoethanol; 1,4-bis(1-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 2-aminoethanol; 1,4-di(octan-3-yloxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 2-aminoethanol; 1,4-di(octan-3-yloxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 2-aminoethanol; 1,4-bis(1-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:

CCCCCC(CC)OC(=O)CC(C(=O)OC(CC)CCCCC)S(=O)(=O)O.C(CO)N

Isomeric SMILES

CCCCCC(CC)OC(=O)CC(C(=O)OC(CC)CCCCC)S(=O)(=O)O.C(CO)N

InChI

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