[3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-hydroxyphenyl)carbonyloxy-phenyl] 4-oxidanylbenzoate sulfate

Systemtic Name: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-hydroxyphenyl)carbonyloxy-phenyl] 4-oxidanylbenzoate sulfate Openeye Name: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-hydroxybenzoyl)oxy-phenyl] 4-hydroxybenzoate sulfate CAS Name: 4-hydroxybenzoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(4-hydroxyphenyl)-oxomethoxy]phenyl] ester sulfate IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate sulfate Traditional Name: 4-hydroxybenzoic acid [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-hydroxybenzoyl)oxy-phenyl] ester sulfate Formula: C26H27NO11S-2 MolecularWeight: 561.55768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C26H27NO7.H2O4S/c1-26(2,3)27-15-23(30)18-12-21(33-24(31)16-4-8-19(28)9-5-16)14-22(13-18)34-25(32)17-6-10-20(29)11-7-17;1-5(2,3)4/h4-14,23,27-30H,15H2,1-3H3;(H2,1,2,3,4)/p-2