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 3 results

Search term: NLABKWWGROHMBZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170524

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C30H44O13/c1-12-7-15(37-6)25(36)28(3)14(12)8-18-29(4)17(30(5,43-13(2)32)26-23(24(28)29)38-11-39-26)9-19(41-18)42-27-22(35)21(34)20(33)16(10-31)40-27/h7,12,14,16-24,26-27,31,33-35H,8-11H2,1-6H3
C30H44O13612.66263300
4478629

9 of 16 defined stereocentres - 9/16 defined
InChI=1/C30H44O13/c1-12-7-15(37-6)25(36)28(3)14(12)8-18-29(4)17(30(5,43-13(2)32)26-23(24(28)29)38-11-39-26)9-19(41-18)42-27-22(35)21(34)20(33)16(10-31)40-27/h7,12,14,16-24,26-27,31,33-35H,8-11H2,1-6H3/t12?,14?,16-,17-,18-,19?,20?,21+,22?,23?,24?,26-,27+,28+,29-,30+/m1/s1
C30H44O13612.66262200
24710196

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C30H44O13/c1-12-7-15(37-6)25(36)28(3)14(12)8-18-29(4)17(30(5,43-13(2)32)26-23(24(28)29)38-11-39-26)9-19(41-18)42-27-22(35)21(34)20(33)16(10-31)40-27/h7,12,14,16-24,26-27,31,33-35H,8-11H2,1-6H3/t12-,14+,16-,17-,18-,19+,20-,21+,22-,23+,24-,26-,27+,28+,29-,30+/m1/s1
C30H44O13612.66262200

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