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: SETVRSKZJJWOPA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9433253

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
C23H29ClO4404.927363500
4513961

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+
C23H29ClO4404.92791900
4941425

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10-,13-6+
C23H29ClO4404.9273300
8128699

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23-/m0/s1
C23H29ClO4404.9272100
90308

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3
C23H29ClO4404.9272100
114816398

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6u/t14-,16-,23+/m1/s1
C23H29ClO4404.9271100
128919990

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/p-1/b11-10+,13-6+/t14-,16+,23+/m1/s1
C23H28ClO4403.91961100

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