8-[phenylazanylmethyl(8-sulfooctyl)phosphanyl]octane-1-sulfonic acid

Systemtic Name: 8-[phenylazanylmethyl(8-sulfooctyl)phosphanyl]octane-1-sulfonic acid Openeye Name: 8-[anilinomethyl(8-sulfooctyl)phosphanyl]octane-1-sulfonic acid CAS Name: 8-[anilinomethyl(8-sulfooctyl)phosphino]-1-octanesulfonic acid IUPAC Name: 8-[anilinomethyl(8-sulfooctyl)phosphanyl]octane-1-sulfonic acid Traditional Name: 8-[anilinomethyl(8-sulfooctyl)phosphino]octane-1-sulfonic acid Formula: C23H42NO6PS2 MolecularWeight: 523.686441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42NO6PS2/c25-32(26,27)20-14-7-3-1-5-12-18-31(22-24-23-16-10-9-11-17-23)19-13-6-2-4-8-15-21-33(28,29)30/h9-11,16-17,24H,1-8,12-15,18-22H2,(H,25,26,27)(H,28,29,30)