1-[2,2-dimethylpropanoyloxymethoxy(oxidanyl)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-[2,2-dimethylpropanoyloxymethoxy(oxidanyl)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[2,2-dimethylpropanoyloxymethoxy(hydroxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[(2,2-dimethyl-1-oxopropoxy)methoxy-hydroxyphosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[2,2-dimethylpropanoyloxymethoxy(hydroxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[hydroxy(pivaloyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C22H29O9PS MolecularWeight: 500.499021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C22H29O9PS/c1-22(2,3)21(23)29-16-30-32(24,25)20(33(26,27)28)14-8-10-17-9-7-13-19(15-17)31-18-11-5-4-6-12-18/h4-7,9,11-13,15,20H,8,10,14,16H2,1-3H3,(H,24,25)(H,26,27,28)