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 4 results

Search term: UTIIUUIQHFQQRL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7852650

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H28N8O7S3/c1-5-33(18-13-6-7-42-21(13)32(4)11-28-18)8-12-9-43-22-16(20(36)34(22)17(12)23(37)38)30-19(35)15(14-10-44-25(27)29-14)31-41-26(2,3)24(39)40/h6-7,10-11,16,22H,5,8-9H2,1-4H3,(H4-,27,29,30,35,37,38,39,40)/b31-15+/t16-,22-/m1/s1
C26H28N8O7S3660.74492200
7852651

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H28N8O7S3/c1-5-33(18-13-6-7-42-21(13)32(4)11-28-18)8-12-9-43-22-16(20(36)34(22)17(12)23(37)38)30-19(35)15(14-10-44-25(27)29-14)31-41-26(2,3)24(39)40/h6-7,10-11,16,22H,5,8-9H2,1-4H3,(H4-,27,29,30,35,37,38,39,40)/p+1/b31-15+/t16-,22-/m1/s1
C26H29N8O7S3661.75232200
8230710

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H28N8O7S3/c1-5-33(18-13-6-7-42-21(13)32(4)11-28-18)8-12-9-43-22-16(20(36)34(22)17(12)23(37)38)30-19(35)15(14-10-44-25(27)29-14)31-41-26(2,3)24(39)40/h6-7,10-11,16,22H,5,8-9H2,1-4H3,(H4-,27,29,30,35,37,38,39,40)/p+1/b31-15-
C26H29N8O7S3661.75232100
64883308

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H28N8O7S3/c1-5-33(18-13-6-7-42-21(13)32(4)11-28-18)8-12-9-43-22-16(20(36)34(22)17(12)23(37)38)30-19(35)15(14-10-44-25(27)29-14)31-41-26(2,3)24(39)40/h6-7,10-11,16,22H,5,8-9H2,1-4H3,(H4-,27,29,30,35,37,38,39,40)/b31-15+
C26H28N8O7S3660.74491100

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