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 12 results

Search term: DSPNTLCJTJBXTD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25053851

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+/t24-,25-,26+,27+/m0/s1
C31H45N3O4S555.77179800
58139172

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8+,12-11+,21-13+,22-9+,23-16+/t24-,25-,26+,27+/m0/s1
C31H45N3O4S555.77174400
8091346

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8+,12-11+,21-13+,22-9-,23-16+
C31H45N3O4S555.77172100
8113212

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8+,12-11+,21-13+,22-9-,23-16-
C31H45N3O4S555.77172100
8228976

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8+,12-11+,21-13+,22-9-,23-16+/t24-,25-,26+,27+/m0/s1
C31H45N3O4S555.77172100
9401757

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8+,12-11+,21-13-,22-9-,23-16+/t24-,25-,26+,27+/m0/s1
C31H45N3O4S555.77172100
10473527

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+
C31H45N3O4S555.77172200
13101687

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9u,23-16+/t24-,25+,26+,27+/m0/s1
C31H45N3O4S555.77171100
13107349

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13-,22-9u,23-16+/t24-,25+,26+,27+/m0/s1
C31H45N3O4S555.77171100
13183757

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9u,23-16+
C31H45N3O4S555.77171100
110803725

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+/t24-,25+,26+,27+/m1/s1
C31H45N3O4S555.77171100
57475741

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13-,22-9-,23-16+
C31H45N3O4S555.77171200

Advertisement