5-[2-(12-phosphonododecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid

Systemtic Name: 5-[2-(12-phosphonododecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid Openeye Name: 5-[2-(12-phosphonododecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid CAS Name: 5-[[2-[(1-oxo-12-phosphonododecyl)amino]phenyl]thio]-1-pentanesulfonic acid IUPAC Name: 5-[2-(12-phosphonododecanoylamino)phenyl]sulfanylpentane-1-sulfonic acid Traditional Name: 5-[[2-(12-phosphonododecanoylamino)phenyl]thio]pentane-1-sulfonic acid Formula: C23H40NO7PS2 MolecularWeight: 537.669961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCP(=O)(O)O)SCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCP(=O)(O)O)SCCCCCS(=O)(=O)O

InChI

InChI=1S/C23H40NO7PS2/c25-23(17-9-6-4-2-1-3-5-7-12-18-32(26,27)28)24-21-15-10-11-16-22(21)33-19-13-8-14-20-34(29,30)31/h10-11,15-16H,1-9,12-14,17-20H2,(H,24,25)(H2,26,27,28)(H,29,30,31)