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
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Found 3 results

Search term: ROSNKPATLOVTEX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952740

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H31NO7/c1-27(2,25-23(31)21(29)22(30)24(34-25)26(32)33)13-7-12-17-16-9-4-3-8-15(16)14-20(28)19-11-6-5-10-18(17)19/h3-6,8-12,20-25,28-31H,7,13-14H2,1-2H3/b17-12-/t20?,21-,22-,23+,24-,25+/m0/s1
C26H31NO7469.52686500
5288715

Charge

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H31NO7/c1-27(2,25-23(31)21(29)22(30)24(34-25)26(32)33)13-7-12-17-16-9-4-3-8-15(16)14-20(28)19-11-6-5-10-18(17)19/h3-6,8-12,20-25,28-31H,7,13-14H2,1-2H3/p+1/b17-12-/t20?,21-,22-,23+,24-,25+/m0/s1
C26H32NO7470.534782200
120331393

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H31NO7/c1-27(2,25-23(31)21(29)22(30)24(34-25)26(32)33)13-7-12-17-16-9-4-3-8-15(16)14-20(28)19-11-6-5-10-18(17)19/h3-6,8-12,20-25,28-31H,7,13-14H2,1-2H3/b17-12-
C26H31NO7469.52681100

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