2-oxidanylideneethyl 2-(dodecylamino)ethanoate; 2-oxidanylideneethyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylideneethyl 2-(dodecylamino)ethanoate; 2-oxidanylideneethyl 4-methylbenzenesulfonate Openeye Name: 2-oxoethyl 2-(dodecylamino)acetate; 2-oxoethyl 4-methylbenzenesulfonate CAS Name: 2-(dodecylamino)acetic acid 2-oxoethyl ester; 4-methylbenzenesulfonic acid 2-oxoethyl ester IUPAC Name: 2-oxoethyl 2-(dodecylamino)acetate; 2-oxoethyl 4-methylbenzenesulfonate Traditional Name: 2-(laurylamino)acetic acid 2-ketoethyl ester; 4-methylbenzenesulfonic acid 2-ketoethyl ester Formula: C25H41NO7S MolecularWeight: 499.66054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC(=O)OCC=O.CC1=CC=C(C=C1)S(=O)(=O)OCC=O

Isomeric SMILES

CCCCCCCCCCCCNCC(=O)OCC=O.CC1=CC=C(C=C1)S(=O)(=O)OCC=O

InChI

InChI=1S/C16H31NO3.C9H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-17-15-16(19)20-14-13-18;1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h13,17H,2-12,14-15H2,1H3;2-6H,7H2,1H3