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
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Found 6 results

Search term: PHFHKTUUXFZBJK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
88298069

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23-,25-,29+,30-,31+/m0/s1
C31H48O3468.7115400
4944883

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23-,25?,29+,30-,31+/m0/s1
C31H48O3468.7113200
307230

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3
C31H48O3468.7112100
4532511

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11-
C31H48O3468.7112200
58817590

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23-,25?,29+,30?,31+/m0/s1
C31H48O3468.7111100

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