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: XRPYRCCVSZYAQT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4455304

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18?,22?,23?,24?,25?,26?,27-,28+/m0/s1
C28H44O3428.6471600000018400
4101412

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3
C28H44O3428.6471600000014200
10071622

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18-,22-,23+,24-,25-,26+,27-,28+/m0/s1
C28H44O3428.64722100
10071623

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18-,22+,23-,24+,25+,26-,27+,28-/m1/s1
C28H44O3428.64722100
10071624

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18-,22-,23+,24+,25-,26+,27-,28+/m0/s1
C28H44O3428.64722100
10071625

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18-,22+,23-,24-,25+,26-,27+,28-/m1/s1
C28H44O3428.64722100
62648349

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O3/c1-18(7-6-8-19(2)29)24-11-12-25-23-10-9-21-17-22(31-20(3)30)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18,22-26H,6-8,10-17H2,1-5H3/t18-,22+,23+,24-,25-,26-,27+,28-/m1/s1
C28H44O3428.64722200

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