1-[bis(1-propanoyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-[bis(1-propanoyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[bis(1-propanoyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[bis[1-(1-oxopropoxy)ethoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[bis(1-propanoyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[bis(1-propionyloxyethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C26H35O11PS MolecularWeight: 586.588261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35O11PS/c1-5-24(27)33-19(3)36-38(29,37-20(4)34-25(28)6-2)26(39(30,31)32)17-11-13-21-12-10-16-23(18-21)35-22-14-8-7-9-15-22/h7-10,12,14-16,18-20,26H,5-6,11,13,17H2,1-4H3,(H,30,31,32)