butyl 2-[bis(pentylsulfanyloxy)phosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate

Systemtic Name: butyl 2-[bis(pentylsulfanyloxy)phosphorylmethyl-phenylmethoxycarbonyl-amino]ethanoate Openeye Name: butyl 2-[benzyloxycarbonyl-[bis(pentylsulfanyloxy)phosphorylmethyl]amino]acetate CAS Name: 2-[bis[(pentylthio)oxy]phosphorylmethyl-phenylmethoxycarbonylamino]acetic acid butyl ester IUPAC Name: butyl 2-[bis(pentylsulfanyloxy)phosphorylmethyl-phenylmethoxycarbonylamino]acetate Traditional Name: 2-[bis[(amylthio)oxy]phosphorylmethyl-carbobenzoxy-amino]acetic acid butyl ester Formula: C25H42NO7PS2 MolecularWeight: 563.707241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSOP(=O)(CN(CC(=O)OCCCC)C(=O)OCC1=CC=CC=C1)OSCCCCC

Isomeric SMILES

CCCCCSOP(=O)(CN(CC(=O)OCCCC)C(=O)OCC1=CC=CC=C1)OSCCCCC

InChI

InChI=1S/C25H42NO7PS2/c1-4-7-13-18-35-32-34(29,33-36-19-14-8-5-2)22-26(20-24(27)30-17-9-6-3)25(28)31-21-23-15-11-10-12-16-23/h10-12,15-16H,4-9,13-14,17-22H2,1-3H3