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: IRMWWONYJGHRQL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4871018

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H32N4O2S2/c1-16-12-17(2)15-28(14-16)23-20(24(31)29-11-7-8-18(3)22(29)27-23)13-21-25(32)30(26(33)34-21)19-9-5-4-6-10-19/h7-8,11,13,16-17,19H,4-6,9-10,12,14-15H2,1-3H3/b21-13-
C26H32N4O2S2496.6879141100
22850723

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H32N4O2S2/c1-16-12-17(2)15-28(14-16)23-20(24(31)29-11-7-8-18(3)22(29)27-23)13-21-25(32)30(26(33)34-21)19-9-5-4-6-10-19/h7-8,11,13,16-17,19H,4-6,9-10,12,14-15H2,1-3H3/b21-13+
C26H32N4O2S2496.68797500
4307325

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H32N4O2S2/c1-16-12-17(2)15-28(14-16)23-20(24(31)29-11-7-8-18(3)22(29)27-23)13-21-25(32)30(26(33)34-21)19-9-5-4-6-10-19/h7-8,11,13,16-17,19H,4-6,9-10,12,14-15H2,1-3H3
C26H32N4O2S2496.687883200
62302031

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H32N4O2S2/c1-16-12-17(2)15-28(14-16)23-20(24(31)29-11-7-8-18(3)22(29)27-23)13-21-25(32)30(26(33)34-21)19-9-5-4-6-10-19/h7-8,11,13,16-17,19H,4-6,9-10,12,14-15H2,1-3H3/b21-13-/t16-,17-/m1/s1
C26H32N4O2S2496.68792200
62538547

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H32N4O2S2/c1-16-12-17(2)15-28(14-16)23-20(24(31)29-11-7-8-18(3)22(29)27-23)13-21-25(32)30(26(33)34-21)19-9-5-4-6-10-19/h7-8,11,13,16-17,19H,4-6,9-10,12,14-15H2,1-3H3/b21-13-/t16-,17-/m0/s1
C26H32N4O2S2496.68792200

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