bis(pentylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: bis(pentylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-[bis(pentylsulfanyl)phosphorylmethyl]-butyl-(carboxymethyl)ammonium CAS Name: bis(pentylthio)phosphorylmethyl-butyl-(carboxymethyl)-phenylmethoxycarbonylammonium IUPAC Name: bis(pentylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-phenylmethoxycarbonylazanium Traditional Name: bis(amylthio)phosphorylmethyl-butyl-carbobenzoxy-(carboxymethyl)ammonium Formula: C25H43NO5PS2+ MolecularWeight: 532.716381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSP(=O)(C[N+](CCCC)(CC(=O)O)C(=O)OCC1=CC=CC=C1)SCCCCC

Isomeric SMILES

CCCCCSP(=O)(C[N+](CCCC)(CC(=O)O)C(=O)OCC1=CC=CC=C1)SCCCCC

InChI

InChI=1S/C25H42NO5PS2/c1-4-7-13-18-33-32(30,34-19-14-8-5-2)22-26(17-9-6-3,20-24(27)28)25(29)31-21-23-15-11-10-12-16-23/h10-12,15-16H,4-9,13-14,17-22H2,1-3H3/p+1