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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 15 results

Search term: YEUSSARNQQYBKH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24536274

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1
C28H37NO8515.595310900
62840897

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11-/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1
C28H37NO8515.59535400
58818102

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16?,17-,18-,20-,21+,22-,23-,24-,25-,28+/m1/s1
C28H37NO8515.59534400
4572706

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11-
C28H37NO8515.59534300
4885360

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25+,28-/m1/s1
C28H37NO8515.595344922
2937747

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3
C28H37NO8515.595283100
28487265

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+
C28H37NO8515.59532100
4940933

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16?,17-,18-,20+,21+,22-,23-,24-,25-,28-/m1/s1
C28H37NO8515.59532200
8589582

Double-bond stereo

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13?,15-,16+,17?,18?,20+,21?,22-,23+,24-,25?,28+/m1/s1
C28H37NO8515.59532100
81421915

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1
C28H37NO8515.59532100
117013084

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20?,21+,22-,23+,24-,25-,28+/m1/s1
C28H37NO8515.59531100
127383556

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18+,20+,21+,22-,23+,24-,25-,28+/m1/s1
C28H37NO8515.59531100
129310297

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11-/t13-,15-,16?,17-,18-,20-,21+,22-,23-,24-,25-,28+/m1/s1
C28H37NO8515.59531100
13109867

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25+,28+/m1/s1
C28H37NO8515.59531100

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