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 5 results

Search term: DQCWPGBLFVRMDS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
504479

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3
C31H47NO4497.70924500
17462416

2 of 10 defined stereocentres - 2/10 defined
InChI=1/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18?,19?,23?,24?,25?,26?,28?,29?,30-,31-/m0/s1
C31H47NO4497.70924100
9908490

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19-,23+,24-,25+,26+,28+,29+,30+,31+/m1/s1
C31H47NO4497.70922200
62653759

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19-,23-,24-,25+,26-,28+,29+,30-,31-/m0/s1
C31H47NO4497.70922200
30650411

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19-,23+,24?,25?,26?,28+,29?,30+,31+/m1/s1
C31H47NO4497.70921100

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