[4-[butoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloranyl-6-methyl-naphthalene-2-sulfonate

Systemtic Name: [4-[butoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloranyl-6-methyl-naphthalene-2-sulfonate Openeye Name: [4-[butoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloro-6-methyl-naphthalene-2-sulfonate CAS Name: 4-chloro-6-methyl-2-naphthalenesulfonic acid [4-[[butoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [4-[butoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloro-6-methylnaphthalene-2-sulfonate Traditional Name: 4-chloro-6-methyl-naphthalene-2-sulfonic acid [4-[[butoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C24H28ClO5PS3 MolecularWeight: 559.097881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(SCCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C3C=C(C=CC3=C2)C)Cl

Isomeric SMILES

CCCCOP(=O)(SCCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C3C=C(C=CC3=C2)C)Cl

InChI

InChI=1S/C24H28ClO5PS3/c1-4-6-13-29-31(26,32-14-5-2)33-21-11-9-20(10-12-21)30-34(27,28)22-16-19-8-7-18(3)15-23(19)24(25)17-22/h7-12,15-17H,4-6,13-14H2,1-3H3