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 7 results

Search term: MZUPEDPADUBWHX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4475739

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20-,21?,22?,23?,24+,27-,28+,29-,30+/m1/s1
C30H48O4472.69972200
4476010

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20+,21?,22?,23?,24+,27-,28+,29-,30+/m1/s1
C30H48O4472.69972200
24629249

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20?,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
C30H48O4472.69972200
74886407

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
C30H48O4472.69972200
128442974

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20+,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
C30H48O4472.69972200
129243658

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
C30H48O4472.69971100
90658072

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20?,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
C30H48O4472.69971100

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