11-azanyl-11-oxidanylidene-undecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid

Systemtic Name: 11-azanyl-11-oxidanylidene-undecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid Openeye Name: 11-amino-11-oxo-undecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid CAS Name: 11-amino-11-oxoundecanoic acid; 4-[(2-hydroxyphenyl)thio]butanoic acid IUPAC Name: 11-amino-11-oxoundecanoic acid; 4-(2-hydroxyphenyl)sulfanylbutanoic acid Traditional Name: 11-amino-11-keto-undecanoic acid; 4-[(2-hydroxyphenyl)thio]butyric acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO3.C10H12O3S/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-9H2,(H2,12,13)(H,14,15);1-2,4-5,11H,3,6-7H2,(H,12,13)