CAS No. 62625-21-2

Chemical Identifiers

Linear Formula C27H29O5SNa
Pubchem CID 23692293
MDL Number MFCD00151093
EC No. 263-650-6
IUPAC Name sodium; 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2, 1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
SMILES CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)[O-])C(C)C)C(C)C)O.[Na+]
InchI Identifier InChI=1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1
InchI Key BAVBEHWEOJMHDS-UHFFFAOYSA-M

Health & Safety Information

Signal Word N/A
Hazard Statements N/A
Hazard Codes N/A
Risk Codes N/A
Safety Statements N/A
Transport Information N/A