Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 6 results

Search term: LVWCGFQTAFKQBI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33823865

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14-,19-15-/t20-,22-,23+,24+,25-,27+,30-/m1/s1
C30H42O6498.65096600
65061240

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10+,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1
C30H42O6498.65096400
73994020

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10+,13-12+,18-14-,19-15-/t20-,22-,23+,24+,25-,27+,30-/m1/s1
C30H42O6498.65092200
113610347

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10+,13-12u,18-14-,19-15-/t20-,22+,23+,24+,25-,27+,30+/m1/s1
C30H42O6498.65091100
129160864

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1
C30H42O6498.65091100
129309553

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10+,13-12u,18-14-,19-15-/t20-,22-,23+,24+,25-,27+,30-/m1/s1
C30H42O6498.65091100

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