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 7 results

Search term: JVHIPYJQMFNCEK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4976027

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,20+,24-,25-,26+,27-,28+,30+/m0/s1
C30H39NO4477.6359119367156
4940853

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+
C30H39NO4477.6353200
8023612

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,20-,24-,25-,26+,27-,28+,30+/m0/s1
C30H39NO4477.6352100
8158070

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,20+,24-,25-,26?,27-,28+,30+/m0/s1
C30H39NO4477.6352100
58134660

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9-,15-14-/t18-,19+,20+,24-,25-,26+,27-,28+,30+/m0/s1
C30H39NO4477.6351100
127384070

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,20+,24-,25-,26-,27?,28+,30-/m0/s1
C30H39NO4477.6351100

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