1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-bis[2-methyl-1-(2-methyl-1-oxopropoxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-bis(1-isobutyryloxy-2-methyl-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C32H47O11PS MolecularWeight: 670.747741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C(C)C)OP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)OC(C(C)C)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(OC(=O)C(C)C)OP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)OC(C(C)C)OC(=O)C(C)C

InChI

InChI=1S/C32H47O11PS/c1-21(2)29(33)40-31(23(5)6)42-44(35,43-32(24(7)8)41-30(34)22(3)4)28(45(36,37)38)19-13-15-25-14-12-18-27(20-25)39-26-16-10-9-11-17-26/h9-12,14,16-18,20-24,28,31-32H,13,15,19H2,1-8H3,(H,36,37,38)