2-methyl-3-[4-methyl-2-(11-sulfoundecanoylamino)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-3-[4-methyl-2-(11-sulfoundecanoylamino)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-3-[4-methyl-2-(11-sulfoundecanoylamino)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-3-[[4-methyl-2-[(1-oxo-11-sulfoundecyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-3-[4-methyl-2-(11-sulfoundecanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-3-[[4-methyl-2-(11-sulfoundecanoylamino)phenyl]thio]propionic acid Formula: C22H35NO6S2 MolecularWeight: 473.6464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(C)C(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(C)C(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C22H35NO6S2/c1-17-12-13-20(30-16-18(2)22(25)26)19(15-17)23-21(24)11-9-7-5-3-4-6-8-10-14-31(27,28)29/h12-13,15,18H,3-11,14,16H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)