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 10 results

Search term: SHDSXTLKCOGMKJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5140814

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20?,21?,23?,26+,27-,28?,29+,30+/m1/s1
C30H44O3452.66866500
322788

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18?,19-,20?,21?,23+,26-,27+,28?,29-,30-/m0/s1
C30H44O3452.66863200
433000

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3
C30H44O3452.66863200
4978443

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,23-,26+,27-,28+,29+,30+/m1/s1
C30H44O3452.66863301
30812174

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19-,20?,21?,23+,26-,27+,28+,29-,30-/m0/s1
C30H44O3452.66862200
62452434

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21+,23-,26+,27-,28+,29+,30+/m1/s1
C30H44O3452.66862200
62649187

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20-,21+,23-,26+,27-,28+,29+,30+/m1/s1
C30H44O3452.66862200
58842474

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18-,19-,20+,21-,23+,26-,27+,28+,29-,30-/m0/s1
C30H44O3452.66861100
4572979

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18?,19-,20?,21?,23+,26-,27+,28?,29?,30?/m0/s1
C30H44O3452.66861100
26403056

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C30H44O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-21,23H,8-9,11-14,16-17H2,1-7H3/t18?,19?,20?,21?,23?,26-,27+,28?,29+,30-/m1/s1
C30H44O3452.66861100

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