5-[phenylazanylmethyl(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid

Systemtic Name: 5-[phenylazanylmethyl(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid Openeye Name: 5-[anilinomethyl(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid CAS Name: 5-[anilinomethyl(5-sulfopentyl)phosphino]-1-pentanesulfonic acid IUPAC Name: 5-[anilinomethyl(5-sulfopentyl)phosphanyl]pentane-1-sulfonic acid Traditional Name: 5-[anilinomethyl(5-sulfopentyl)phosphino]pentane-1-sulfonic acid Formula: C17H30NO6PS2 MolecularWeight: 439.526961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCP(CCCCCS(=O)(=O)O)CCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCP(CCCCCS(=O)(=O)O)CCCCCS(=O)(=O)O

InChI

InChI=1S/C17H30NO6PS2/c19-26(20,21)14-8-2-6-12-25(13-7-3-9-15-27(22,23)24)16-18-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2,(H,19,20,21)(H,22,23,24)