[3-chloranyl-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-phenyl] 5,7-dimethylnaphthalene-2-sulfonate

Systemtic Name: [3-chloranyl-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-phenyl] 5,7-dimethylnaphthalene-2-sulfonate Openeye Name: [3-chloro-4-[ethoxy(isobutylsulfanyl)phosphoryl]oxy-phenyl] 5,7-dimethylnaphthalene-2-sulfonate CAS Name: 5,7-dimethyl-2-naphthalenesulfonic acid [3-chloro-4-[ethoxy-(2-methylpropylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [3-chloro-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 5,7-dimethylnaphthalene-2-sulfonate Traditional Name: 5,7-dimethylnaphthalene-2-sulfonic acid [3-chloro-4-[ethoxy-(isobutylthio)phosphoryl]oxy-phenyl] ester Formula: C24H28ClO6PS2 MolecularWeight: 543.032281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=C(C=C(C=C1)OS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)C)C)Cl)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=C(C=C(C=C1)OS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)C)C)Cl)SCC(C)C

InChI

InChI=1S/C24H28ClO6PS2/c1-6-29-32(26,33-15-16(2)3)30-24-10-7-20(14-23(24)25)31-34(27,28)21-8-9-22-18(5)11-17(4)12-19(22)13-21/h7-14,16H,6,15H2,1-5H3