[bis[(2-methoxyphenyl)sulfanyl]-phosphono-methyl]-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: [bis[(2-methoxyphenyl)sulfanyl]-phosphono-methyl]-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-[bis[(2-methoxyphenyl)sulfanyl]-phosphono-methyl]-butyl-(carboxymethyl)ammonium CAS Name: [bis[(2-methoxyphenyl)thio]-phosphonomethyl]-butyl-(carboxymethyl)-phenylmethoxycarbonylammonium IUPAC Name: [bis[(2-methoxyphenyl)sulfanyl]-phosphonomethyl]-butyl-(carboxymethyl)-phenylmethoxycarbonylazanium Traditional Name: [bis[(2-methoxyphenyl)thio]-phosphono-methyl]-butyl-carbobenzoxy-(carboxymethyl)ammonium Formula: C29H35NO9PS2+ MolecularWeight: 636.693261

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC(=O)O)(C(=O)OCC1=CC=CC=C1)C(P(=O)(O)O)(SC2=CC=CC=C2OC)SC3=CC=CC=C3OC

Isomeric SMILES

CCCC[N+](CC(=O)O)(C(=O)OCC1=CC=CC=C1)C(P(=O)(O)O)(SC2=CC=CC=C2OC)SC3=CC=CC=C3OC

InChI

InChI=1S/C29H34NO9PS2/c1-4-5-19-30(20-27(31)32,28(33)39-21-22-13-7-6-8-14-22)29(40(34,35)36,41-25-17-11-9-15-23(25)37-2)42-26-18-12-10-16-24(26)38-3/h6-18H,4-5,19-21H2,1-3H3,(H2-,31,32,34,35,36)/p+1