12-azanyl-12-oxidanylidene-dodecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid

Systemtic Name: 12-azanyl-12-oxidanylidene-dodecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid Openeye Name: 12-amino-12-oxo-dodecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid CAS Name: 12-amino-12-oxododecanoic acid; 4-[(2-hydroxyphenyl)thio]butanoic acid IUPAC Name: 12-amino-12-oxododecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid Traditional Name: 12-amino-12-keto-lauric acid; 4-[(2-hydroxyphenyl)thio]butyric acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)O)SCCCC(=O)O.C(CCCCCC(=O)O)CCCCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)O)SCCCC(=O)O.C(CCCCCC(=O)O)CCCCC(=O)N

InChI

InChI=1S/C12H23NO3.C10H12O3S/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-10H2,(H2,13,14)(H,15,16);1-2,4-5,11H,3,6-7H2,(H,12,13)