(2-bromophenyl) 4-[ethoxy(pentylsulfanyl)phosphoryl]oxy-2-methoxy-benzenesulfonate

Systemtic Name: (2-bromophenyl) 4-[ethoxy(pentylsulfanyl)phosphoryl]oxy-2-methoxy-benzenesulfonate Openeye Name: (2-bromophenyl) 4-[ethoxy(pentylsulfanyl)phosphoryl]oxy-2-methoxy-benzenesulfonate CAS Name: 4-[ethoxy-(pentylthio)phosphoryl]oxy-2-methoxybenzenesulfonic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-[ethoxy(pentylsulfanyl)phosphoryl]oxy-2-methoxybenzenesulfonate Traditional Name: 4-[(amylthio)-ethoxy-phosphoryl]oxy-2-methoxy-benzenesulfonic acid (2-bromophenyl) ester Formula: C20H26BrO7PS2 MolecularWeight: 553.424001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSP(=O)(OCC)OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br)OC

Isomeric SMILES

CCCCCSP(=O)(OCC)OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br)OC

InChI

InChI=1S/C20H26BrO7PS2/c1-4-6-9-14-30-29(22,26-5-2)27-16-12-13-20(19(15-16)25-3)31(23,24)28-18-11-8-7-10-17(18)21/h7-8,10-13,15H,4-6,9,14H2,1-3H3