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
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Single/Multi-component
Isotopically Labeled
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Found 2 results

Search term: QSWCVWBVTMMQHG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5044821

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H34O12/c1-4-34-23(29)17-13-9-10-14-18(24(30)35-5-2)26(32)39-22-21(38-25(17)31)20-19(37-28(22)33-3)15-36-27(40-20)16-11-7-6-8-12-16/h6-12,17-22,27-28H,4-5,13-15H2,1-3H3/t17-,18-,19-,20-,21+,22-,27?,28+/m1/s1
C28H34O12562.56242100
5045370

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C28H34O12/c1-4-34-23(29)17-13-9-10-14-18(24(30)35-5-2)26(32)39-22-21(38-25(17)31)20-19(37-28(22)33-3)15-36-27(40-20)16-11-7-6-8-12-16/h6-12,17-22,27-28H,4-5,13-15H2,1-3H3/t17?,18?,19-,20-,21+,22+,27?,28+/m1/s1
C28H34O12562.56242100

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