2-dimethylaminoethyl 4-(butylamino)benzoate; dodecyl hydrogen sulfate; sodium

Systemtic Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; dodecyl hydrogen sulfate; sodium Openeye Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; dodecyl hydrogen sulfate; sodium CAS Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; sodium; sulfuric acid dodecyl ester IUPAC Name: 2-dimethylaminoethyl 4-(butylamino)benzoate; dodecyl hydrogen sulfate; sodium Traditional Name: 4-(butylamino)benzoic acid 2-dimethylaminoethyl ester; sodium; sulfuric acid lauryl ester Formula: C27H50N2NaO6S MolecularWeight: 553.75047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)O.CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.[Na]

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)O.CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.[Na]

InChI

InChI=1S/C15H24N2O2.C12H26O4S.Na/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h6-9,16H,4-5,10-12H2,1-3H3;2-12H2,1H3,(H,13,14,15);