CLL1_007958
Molecular Formula:
C62H79N3O12S
InChI: InChI=1/C62H79N3O12S/c1-4-6-7-8-9-10-11-12-13-18-36-71-61(68)64(41-45-23-31-56-57(37-45)73-43-72-56)58-40-54(63-75-42-44-21-24-47(25-22-44)65(69)70)52-38-46(19-14-16-33-66)51(20-15-17-34-67)59-53-39-49(76-48-26-29-50(78-3)30-27-48)28-32-55(53)77-62(58,60(52)59)74-35-5-2/h5,21-32,37-39,46,51,58-60,66-67H,2,4,6-20,33-36,40-43H2,1,3H3/t46-,51+,58-,59+,60+,62+/m0/s1
InChIKey: InChIKey=XNORZXVTSBEYNK-QYYNYBQUBX
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(C(C6C5C3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)SC)OCC=C)CCCCO)CCCCO
Names:
CLL1_007958
Registries:
PubChem CID 6634201
PubChem ID 11251673
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