6-(2-carboxyethylsulfanyl)hexanoic acid; 1-methyl-4-nonyl-benzene

Systemtic Name: 6-(2-carboxyethylsulfanyl)hexanoic acid; 1-methyl-4-nonyl-benzene Openeye Name: 6-(2-carboxyethylsulfanyl)hexanoic acid; 1-methyl-4-nonyl-benzene CAS Name: 6-(2-carboxyethylthio)hexanoic acid; 1-methyl-4-nonylbenzene IUPAC Name: 6-(2-carboxyethylsulfanyl)hexanoic acid; 1-methyl-4-nonylbenzene Traditional Name: 6-(2-carboxyethylthio)hexanoic acid; 1-methyl-4-nonyl-benzene Formula: C25H42O4S MolecularWeight: 438.66358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C.C(CCC(=O)O)CCSCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C.C(CCC(=O)O)CCSCCC(=O)O

InChI

InChI=1S/C16H26.C9H16O4S/c1-3-4-5-6-7-8-9-10-16-13-11-15(2)12-14-16;10-8(11)4-2-1-3-6-14-7-5-9(12)13/h11-14H,3-10H2,1-2H3;1-7H2,(H,10,11)(H,12,13)