6-butylsulfanylhexanoic acid; 1-methyl-4-nonyl-benzene

Systemtic Name: 6-butylsulfanylhexanoic acid; 1-methyl-4-nonyl-benzene Openeye Name: 6-butylsulfanylhexanoic acid; 1-methyl-4-nonyl-benzene CAS Name: 6-(butylthio)hexanoic acid; 1-methyl-4-nonylbenzene IUPAC Name: 6-butylsulfanylhexanoic acid; 1-methyl-4-nonylbenzene Traditional Name: 6-(butylthio)hexanoic acid; 1-methyl-4-nonyl-benzene Formula: C26H46O2S MolecularWeight: 422.70724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C.CCCCSCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C.CCCCSCCCCCC(=O)O

InChI

InChI=1S/C16H26.C10H20O2S/c1-3-4-5-6-7-8-9-10-16-13-11-15(2)12-14-16;1-2-3-8-13-9-6-4-5-7-10(11)12/h11-14H,3-10H2,1-2H3;2-9H2,1H3,(H,11,12)