3-(3-butyloctylsulfanyl)-2-methyl-2-phenyl-propanoic acid

Systemtic Name: 3-(3-butyloctylsulfanyl)-2-methyl-2-phenyl-propanoic acid Openeye Name: 3-(3-butyloctylsulfanyl)-2-methyl-2-phenyl-propanoic acid CAS Name: 3-(3-butyloctylthio)-2-methyl-2-phenylpropanoic acid IUPAC Name: 3-(3-butyloctylsulfanyl)-2-methyl-2-phenylpropanoic acid Traditional Name: 3-(3-butyloctylthio)-2-methyl-2-phenyl-propionic acid Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCSCC(C)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCC(CCCC)CCSCC(C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H36O2S/c1-4-6-9-13-19(12-7-5-2)16-17-25-18-22(3,21(23)24)20-14-10-8-11-15-20/h8,10-11,14-15,19H,4-7,9,12-13,16-18H2,1-3H3,(H,23,24)