1-[bis[1-(2,2-dimethylpropanoyloxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-[bis[1-(2,2-dimethylpropanoyloxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[bis[1-(2,2-dimethylpropanoyloxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[bis[1-(2,2-dimethyl-1-oxopropoxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[bis[1-(2,2-dimethylpropanoyloxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[bis(1-pivaloyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C30H43O11PS MolecularWeight: 642.694581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43O11PS/c1-21(37-27(31)29(3,4)5)40-42(33,41-22(2)38-28(32)30(6,7)8)26(43(34,35)36)19-13-15-23-14-12-18-25(20-23)39-24-16-10-9-11-17-24/h9-12,14,16-18,20-22,26H,13,15,19H2,1-8H3,(H,34,35,36)