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 6 results

Search term: SAHCQBPGXQFTRA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22842343

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20-,22-,23-,24+,25+,26+,27-/m0/s1
C27H49O12P596.64459700
58163600

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
C27H49O12P596.64453400
9299957

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20-,22?,23-,24+,25-,26-,27?/m1/s1
C27H49O12P596.64453200
8049074

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20?,22?,23-,24+,25-,26-,27?/m1/s1
C27H49O12P596.64452100
58163601

Charge

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/p-1/b7-6-,10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
C27H48O12P595.63711100
113600588

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20-,22-,23-,24+,25+,26+,27-/m1/s1
C27H49O12P596.64451100

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