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: TWGPOIQWWGNBKW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28296099

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22?,23-,25-,28+,29+,30+,31+,32-,33+,34-,35+/m1/s1
C35H44O16720.7143171900
4528505

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+
C35H44O16720.71437800
385030

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3
C35H44O16720.71433200
82964752

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22?,23-,25-,28+,29+,30+,31+,32-,33+,34-,35+/m0/s1
C35H44O16720.71432100
114815194

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20-,21+,22?,23-,25+,28+,29+,30-,31-,32+,33-,34-,35+/m0/s1
C35H44O16720.71431100
4572755

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20-,21+,22+,23+,25+,28-,29-,30-,31-,32+,33-,34+,35-/m0/s1
C35H44O16720.71431100
34018747

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20-,21-,22?,23+,25+,28+,29+,30+,31-,32+,33+,34-,35+/m1/s1
C35H44O16720.71431100

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