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Thymophthalein

PropertiesImage
MNX_IDMNXM169238 Image of MNXM169238
referencechebi:192239
formulaC28H30O4
global charge0
mol weight430.544
InChIKeyLDKDGDIWEUUXSH-UHFFFAOYSA-N
InChIInChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
SMILESCC1=C(C2(C3=C(C)C=C(O)C(C(C)C)=C3)OC(=O)C3=C2C=CC=C3)C=C(C(C)C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3 Image of MNXM169238
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C:20]1=[C:25]([OH:29])[CH:11]=[C:17]([CH3:5])[C:23]([C:28]2([C:24]3=[CH:14][C:21]([CH:16]([CH3:3])[CH3:4])=[C:26]([OH:30])[CH:12]=[C:18]3[CH3:6])[C:22]3=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]3[C:27](=[O:31])[O:32]2)=[CH:13]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192239
chebi:192239
LDKDGDIWEUUXSH-UHFFFAOYSA-N 		Thymophthalein
3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzouran-1-one
hmdb:HMDB0259056
LDKDGDIWEUUXSH-UHFFFAOYSA-N 		THYMOLPHTHALEIN
3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,3-dihydro-2-benzofuran-1-one
Thymolphthalein
thymolphthalein

sabiork.compound:23159
sabiorkM:23159
LDKDGDIWEUUXSH-UHFFFAOYSA-N 		Thymolphthalein