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 3 results

Search term: SFEIVGCFQJAPTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8755030

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H56O10/c1-17(15-42-30-27(39)28(41-5)23(37)16-43-30)7-6-8-18(2)19-13-21(35)29-31(19,3)12-10-24-32(4)11-9-20(34)26(38)25(32)22(36)14-33(24,29)40/h6,8,17-30,34-40H,7,9-16H2,1-5H3/b8-6+/t17-,18+,19+,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-/m0/s1
C33H56O10612.79172100
29216836

Double-bond stereo

13 of 17 defined stereocentres - 13/17 defined
InChI=1/C33H56O10/c1-17(15-42-30-27(39)28(41-5)23(37)16-43-30)7-6-8-18(2)19-13-21(35)29-31(19,3)12-10-24-32(4)11-9-20(34)26(38)25(32)22(36)14-33(24,29)40/h6,8,17-30,34-40H,7,9-16H2,1-5H3/b8-6+/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27?,28?,29+,30?,31+,32+,33-/m0/s1
C33H56O10612.79172200
29216838

Double-bond stereo

13 of 17 defined stereocentres - 13/17 defined
InChI=1/C33H56O10/c1-17(15-42-30-27(39)28(41-5)23(37)16-43-30)7-6-8-18(2)19-13-21(35)29-31(19,3)12-10-24-32(4)11-9-20(34)26(38)25(32)22(36)14-33(24,29)40/h6,8,17-30,34-40H,7,9-16H2,1-5H3/b8-6+/t17-,18-,19-,20+,21-,22+,23?,24-,25+,26+,27?,28?,29-,30?,31-,32-,33+/m1/s1
C33H56O10612.79172200

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