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
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Found 7 results

Search term: ACSLMZYXJATICN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28296297

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16+,21-,25+/m0/s1
C25H31ClO6462.963212200
59760894

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9u,13-7+/t15-,16+,21-,25+/m0/s1
C25H31ClO6462.9632200
8473873

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+
C25H31ClO6462.9632100
113597643

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16+,21-,25+/m1/s1
C25H31ClO6462.9631100
128925565

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7u/t15-,16-,21-,25+/m0/s1
C25H31ClO6462.9631100
34978333

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16-,21-,25+/m0/s1
C25H31ClO6462.9631100
58828529

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16+,21?,25+/m0/s1
C25H31ClO6462.9631200

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