1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-bis[2-methyl-1-(1-oxopropoxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-bis(2-methyl-1-propanoyloxypropoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-bis(2-methyl-1-propionyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C30H43O11PS MolecularWeight: 642.694581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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