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 7 results

Search term: OFOUJHGWJJEVMF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8002890

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-,18-16-/t19-,20-,23+,24+,25-,26-,27+,28+/m0/s1
C28H32O8496.54893200
8204356

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-,18-16+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1
C28H32O8496.54892100
9288922

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-,18-16+/t19-,20-,23+,24+,25+,26+,27-,28-/m1/s1
C28H32O8496.54892100
9823675

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-,18-16+/t19-,20+,23-,24-,25+,26+,27-,28-/m1/s1
C28H32O8496.54892100
9930266

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7-,10-8+,13-11+,14-12+,17-15+,18-16-/t19?,20?,23-,24-,25+,26+,27-,28-/m1/s1
C28H32O8496.54892100
27023003

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15-,18-16-/t19-,20-,23-,24?,25+,26+,27-,28+/m1/s1
C28H32O8496.54892200
120331426

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,29-30,33-34H,1-6H3/b9-7+,10-8u,13-11u,14-12+,17-15u,18-16u
C28H32O8496.54891100

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