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 17 results

Search term: JPYYWXPAHJBKJX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8753322

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
C31H38O7522.6292282710
28420761

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24+,25-,26-,27-,31+/m0/s1
C31H38O7522.6292191700
57256776

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24+,25-,26+,27-,31+/m0/s1
C31H38O7522.62926400
114642308

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27+,31+/m0/s1
C31H38O7522.62923300
8112207

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+
C31H38O7522.62923100
101935777

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26+,27-,31+/m0/s1
C31H38O7522.62923300
4475626

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23+,24-,25+,26+,27+,31-/m1/s1
C31H38O7522.62922200
52564477

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19?,23?,24?,25-,26?,27-,31+/m0/s1
C31H38O7522.62921100
113612062

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24-,25-,26-,27-,31-/m0/s1
C31H38O7522.62921100
114391033

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24+,25-,26?,27-,31+/m0/s1
C31H38O7522.62921100
114391979

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24+,25-,26-,27+,31+/m0/s1
C31H38O7522.62921100
114724700

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23+,24+,25-,26?,27-,31+/m0/s1
C31H38O7522.62921100
127404747

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26+,27-,31+/m1/s1
C31H38O7522.62921100
128925568

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24+,25+,26-,27-,31+/m0/s1
C31H38O7522.62921100
129310652

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26?,27-,31+/m0/s1
C31H38O7522.62921100
60958847

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15-/t19-,23-,24-,25-,26-,27-,31+/m0/s1
C31H38O7522.62921100
82964506

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26?,27-,31+/m1/s1
C31H38O7522.62921200

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