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 7 results

Search term: YSZZLAPSDPZFFH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17470051

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/t17-,19?,20+,21?,23+,25+/m0/s1
C25H35NO4413.54979800
10051106

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/t17-,19+,20+,21+,23+,25+/m0/s1
C25H35NO4413.54972100
4147285

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3
C25H35NO4413.54972100
10051104

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/t17-,19-,20+,21+,23+,25+/m0/s1
C25H35NO4413.54972100
10051105

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/p+1/t17-,19+,20+,21+,23+,25+/m0/s1
C25H36NO4414.55711100
10051103

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H35NO4/c1-17-6-3-9-25(2)13-23-20(12-22(17)25)21(24(27)30-23)16-26(14-18-7-4-10-28-18)15-19-8-5-11-29-19/h4,7,10,12,17,19-21,23H,3,5-6,8-9,11,13-16H2,1-2H3/p+1/t17-,19-,20+,21+,23+,25+/m0/s1
C25H36NO4414.55711100

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