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: CEBCASROENGJPG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952781

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20-,25+,26+,27-/m1/s1
C27H27N3O6489.51985400
23192734

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1
C27H27N3O6489.51983300
24818129

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/t20?,25-,26-,27+/m0/s1
C27H27N3O6489.51981100
68024271

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20-,25-,26-,27?/m0/s1
C27H27N3O6489.51981100
120331434

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+
C27H27N3O6489.51981100

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