2-(2-ethylhexoxy)-2-[[[4-(6-methylheptyl)phenyl]-phenyl-amino]methylsulfanyl]ethanoic acid

Systemtic Name: 2-(2-ethylhexoxy)-2-[[[4-(6-methylheptyl)phenyl]-phenyl-amino]methylsulfanyl]ethanoic acid Openeye Name: 2-(2-ethylhexoxy)-2-[(N-[4-(6-methylheptyl)phenyl]anilino)methylsulfanyl]acetic acid CAS Name: 2-(2-ethylhexoxy)-2-[(N-[4-(6-methylheptyl)phenyl]anilino)methylthio]acetic acid IUPAC Name: 2-(2-ethylhexoxy)-2-[(N-[4-(6-methylheptyl)phenyl]anilino)methylsulfanyl]acetic acid Traditional Name: 2-(2-ethylhexoxy)-2-[(N-[4-(6-methylheptyl)phenyl]anilino)methylthio]acetic acid Formula: C31H47NO3S MolecularWeight: 513.77478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(C(=O)O)SCN(C1=CC=CC=C1)C2=CC=C(C=C2)CCCCCC(C)C

Isomeric SMILES

CCCCC(CC)COC(C(=O)O)SCN(C1=CC=CC=C1)C2=CC=C(C=C2)CCCCCC(C)C

InChI

InChI=1S/C31H47NO3S/c1-5-7-15-26(6-2)23-35-31(30(33)34)36-24-32(28-17-12-9-13-18-28)29-21-19-27(20-22-29)16-11-8-10-14-25(3)4/h9,12-13,17-22,25-26,31H,5-8,10-11,14-16,23-24H2,1-4H3,(H,33,34)