[4-[butoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloranylnaphthalene-2-sulfonate

Systemtic Name: [4-[butoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloranylnaphthalene-2-sulfonate Openeye Name: [4-[butoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloronaphthalene-2-sulfonate CAS Name: 4-chloro-2-naphthalenesulfonic acid [4-[butoxy-(propylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [4-[butoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloronaphthalene-2-sulfonate Traditional Name: 4-chloronaphthalene-2-sulfonic acid [4-[butoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C23H26ClO6PS2 MolecularWeight: 529.005701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C(=C2)Cl)SCCC

Isomeric SMILES

CCCCOP(=O)(OC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C(=C2)Cl)SCCC

InChI

InChI=1S/C23H26ClO6PS2/c1-3-5-14-28-31(25,32-15-4-2)29-19-10-12-20(13-11-19)30-33(26,27)21-16-18-8-6-7-9-22(18)23(24)17-21/h6-13,16-17H,3-5,14-15H2,1-2H3