7-[phenylazanylmethyl(7-sulfonatoheptyl)phosphanyl]heptane-1-sulfonate

Systemtic Name: 7-[phenylazanylmethyl(7-sulfonatoheptyl)phosphanyl]heptane-1-sulfonate Openeye Name: 7-[anilinomethyl(7-sulfonatoheptyl)phosphanyl]heptane-1-sulfonate CAS Name: 7-[anilinomethyl(7-sulfonatoheptyl)phosphino]-1-heptanesulfonate IUPAC Name: 7-[anilinomethyl(7-sulfonatoheptyl)phosphanyl]heptane-1-sulfonate Traditional Name: 7-[anilinomethyl(7-sulfonatoheptyl)phosphino]heptane-1-sulfonate Formula: C21H36NO6PS2-2 MolecularWeight: 493.617401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCP(CCCCCCCS(=O)(=O)[O-])CCCCCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCP(CCCCCCCS(=O)(=O)[O-])CCCCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H38NO6PS2/c23-30(24,25)18-12-5-1-3-10-16-29(20-22-21-14-8-7-9-15-21)17-11-4-2-6-13-19-31(26,27)28/h7-9,14-15,22H,1-6,10-13,16-20H2,(H,23,24,25)(H,26,27,28)/p-2