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 8 results

Search term: SWQFFFCGVOKUSC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30815225

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/b7-6+/t13-,14+,18+,19+,21+,22-,23+,24+,27-,28-,29+/m0/s1
C29H34O9526.57497700
4754090

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/b7-6+
C29H34O9526.57493300
329056

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3
C29H34O9526.57492100
4577975

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/b7-6-
C29H34O9526.57492200
34946717

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/t13-,14+,18+,19+,21+,22-,23+,24+,27-,28-,29+/m0/s1
C29H34O9526.57491100
68054537

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/b7-6+/t13-,14+,18+,19+,21+,22+,23+,24+,27-,28-,29+/m0/s1
C29H34O9526.57491100
114551523

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O9/c1-13-8-21-18(16(4)25(32)35-21)10-23-27(13,34)12-20(17(5)31)29(38-23)19-11-24-28(37-24,7-6-15(3)30)14(2)9-22(19)36-26(29)33/h6-7,12-14,18-19,21-24,34H,4,8-11H2,1-3,5H3/b7-6+/t13-,14-,18-,19-,21-,22+,23-,24-,27+,28+,29-/m1/s1
C29H34O9526.57491100

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