[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-oxidanyl-methyl]naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-oxidanyl-methyl]naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [3-[ditert-butoxyphosphoryl(hydroxy)methyl]-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-hydroxymethyl]-1-naphthalenyl] ester IUPAC Name: [3-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-hydroxymethyl]naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[ditert-butoxyphosphoryl(hydroxy)methyl]-1-naphthyl] ester Formula: C26H33O7PS MolecularWeight: 520.574781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC=CC=C32)C(O)P(=O)(OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC=CC=C32)C(O)P(=O)(OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C26H33O7PS/c1-18-12-14-21(15-13-18)35(29,30)31-23-17-20(16-19-10-8-9-11-22(19)23)24(27)34(28,32-25(2,3)4)33-26(5,6)7/h8-17,24,27H,1-7H3