Bisphenol A monosulfate


Bisphenol A monosulfate
DEDuCT identifierDED001031
PubChem identifier67701712
CAS identifier267244-09-7
DSSTox identifierDTXSID201025605
IUPAC name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] hydrogen sulfate
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceIndustry, Intermediates
Sub-category based on environmental sourceIndustrial Additive, Industrial Intermediates
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classBenzene and substituted derivatives
SMILESOc1ccc(cc1)C(c1ccc(cc1)OS(=O)(=O)O)(C)C
InChIInChI=1S/C15H16O5S/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(10-6-12)20-21(17,18)19/h3-10,16H,1-2H3,(H,17,18,19)
InChIKeyDOJJVTGTRZSDLJ-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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