10-bromanyldecanoic acid; 10-propylsulfanyldecanoic acid

Systemtic Name: 10-bromanyldecanoic acid; 10-propylsulfanyldecanoic acid Openeye Name: 10-bromodecanoic acid; 10-propylsulfanyldecanoic acid CAS Name: 10-bromodecanoic acid; 10-(propylthio)decanoic acid IUPAC Name: 10-bromodecanoic acid; 10-propylsulfanyldecanoic acid Traditional Name: 10-bromocapric acid; 10-(propylthio)capric acid Formula: C23H45BrO4S MolecularWeight: 497.57

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCCBr

Isomeric SMILES

CCCSCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCCBr

InChI

InChI=1S/C13H26O2S.C10H19BrO2/c1-2-11-16-12-9-7-5-3-4-6-8-10-13(14)15;11-9-7-5-3-1-2-4-6-8-10(12)13/h2-12H2,1H3,(H,14,15);1-9H2,(H,12,13)