Search MNXref
 Feedback

4-isopropylphenyl sulfate

PropertiesImage
MNX_IDMNXM1128605 Image of MNXM1128605
referencechebi:167173
formulaC9H11O4S
global charge-1
mol weight215.25
InChIKeyATVYHUAANHMUAO-UHFFFAOYSA-M
InChIInChI=1S/C9H12O4S/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12/h3-7H,1-2H3,(H,10,11,12)/p-1
SMILESCC(C)C1=CC=C(OS(=O)(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C9H12O4S/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12/h3-7H,1-2H3,(H,10,11,12) Image of MNXM1128605
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[C:8]1=[CH:4][CH:6]=[C:9]([O:13][S:14]([OH:10])(=[O:11])=[O:12])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167173
chebi:167173
ATVYHUAANHMUAO-UHFFFAOYSA-M 		4-isopropylphenyl sulfate
4-(propan-2-yl)phenyl sulfate
4-isopropylphenyl hydrogen sulfate(1-)
4-isopropylphenyl sulfate(1-)

CHEBI:167180
chebi:167180
ATVYHUAANHMUAO-UHFFFAOYSA-N 		4-isopropylphenyl sulfate
4-(propan-2-yl)phenyl hydrogen sulfate
4-isopropylphenyl hydrogen sulfate