[bis(3-phenylpropylsulfanyl)-phosphoroso-methyl]-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: [bis(3-phenylpropylsulfanyl)-phosphoroso-methyl]-butyl-(carboxymethyl)-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-[bis(3-phenylpropylsulfanyl)-phosphoroso-methyl]-butyl-(carboxymethyl)ammonium CAS Name: [bis(3-phenylpropylthio)-phosphorosomethyl]-butyl-(carboxymethyl)-phenylmethoxycarbonylammonium IUPAC Name: [bis(3-phenylpropylsulfanyl)-phosphorosomethyl]-butyl-(carboxymethyl)-phenylmethoxycarbonylazanium Traditional Name: [bis(3-phenylpropylthio)-phosphoroso-methyl]-butyl-carbobenzoxy-(carboxymethyl)ammonium Formula: C33H41NO5PS2+ MolecularWeight: 626.786101

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC(=O)O)(C(=O)OCC1=CC=CC=C1)C(P=O)(SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

Isomeric SMILES

CCCC[N+](CC(=O)O)(C(=O)OCC1=CC=CC=C1)C(P=O)(SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C33H40NO5PS2/c1-2-3-23-34(26-31(35)36,32(37)39-27-30-19-11-6-12-20-30)33(40-38,41-24-13-21-28-15-7-4-8-16-28)42-25-14-22-29-17-9-5-10-18-29/h4-12,15-20H,2-3,13-14,21-27H2,1H3/p+1