Emestrin
Molecular Formula:
C27H22N2O10S2
InChI: InChI=1/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-9-8-16-19(14)29(27)25(35)26(28,40-41-27)21(31)12-6-7-15(30)18(10-12)38-20-13(23(33)39-16)4-3-5-17(20)36-2/h3-11,16,19,21-22,30-32H,1-2H3/t16-,19+,21-,22+,26-,27+/m0/s1
InChIKey: InChIKey=VASYTSFNISZKEL-DCTKBWBHBN
SMILES: CN1C(=O)C23C(C4=COC=CC5C4N2C(=O)C1(C(C6=CC(=C(C=C6)O)OC7=C(C=CC=C7OC)C(=O)O5)O)SS3)O
Names:
Emestrin
97816-62-1
Registries:
PubChem CID 73555
PubChem ID 215790
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