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: CTSIGOVMJZQLLD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24844624

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C29H24O12/c30-16-6-1-14(2-7-16)3-10-22(35)40-28-24(36)20(34)13-38-29(28)41-27-25(37)23-19(33)11-18(32)12-21(23)39-26(27)15-4-8-17(31)9-5-15/h1-12,20,24,28-34,36H,13H2/b10-3+/t20-,24?,28+,29-/m0/s1
C29H24O12564.49372200
28284399

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C29H24O12/c30-16-6-1-14(2-7-16)3-10-22(35)40-28-24(36)20(34)13-38-29(28)41-27-25(37)23-19(33)11-18(32)12-21(23)39-26(27)15-4-8-17(31)9-5-15/h1-12,20,24,28-34,36H,13H2/b10-3+/t20?,24-,28+,29-/m0/s1
C29H24O12564.49371100
115269947

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H24O12/c30-16-6-1-14(2-7-16)3-10-22(35)40-28-24(36)20(34)13-38-29(28)41-27-25(37)23-19(33)11-18(32)12-21(23)39-26(27)15-4-8-17(31)9-5-15/h1-12,20,24,28-34,36H,13H2/b10-3+/t20-,24-,28+,29-/m0/s1
C29H24O12564.49371100

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