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

Systemtic Name: 1-[bis(2,2-dimethylpropoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[bis(2,2-dimethylpropoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[bis[[2,2-dimethylpropoxy(oxo)methoxy]methoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[bis(2,2-dimethylpropoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[bis(neopentyloxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C30H43O13PS MolecularWeight: 674.693381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43O13PS/c1-29(2,3)19-37-27(31)39-21-41-44(33,42-22-40-28(32)38-20-30(4,5)6)26(45(34,35)36)17-11-13-23-12-10-16-25(18-23)43-24-14-8-7-9-15-24/h7-10,12,14-16,18,26H,11,13,17,19-22H2,1-6H3,(H,34,35,36)