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: PZILNXCOIHJJCW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26339114

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2-,9-5-,11-6+,14-8+,16-10+,18-12-/t23-,24-,25-,26+,27-,31-,32+,33-,34+/m0/s1
C34H48O13664.73712200
29214405

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2-,9-5-,11-6+,14-8+,16-10+,18-12-/t23-,24+,25+,26-,27-,31-,32+,33-,34+/m1/s1
C34H48O13664.73712200
58140458

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2+,9-5+,11-6+,14-8+,16-10+,18-12+/t23-,24-,25-,26+,27-,31-,32+,33-,34+/m0/s1
C34H48O13664.73711100
78444507

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2-,9-5-,11-6-,14-8-,16-10-,18-12?
C34H48O13664.73711100
28288863

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2-,9-5-,11-6-,14-8-,16-10-,18-12-/t23-,24+,25+,26-,27+,31+,32-,33+,34?/m1/s1
C34H48O13664.73711100

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