MOLI000025
Molecular Formula:
C27H31N3O9S2Tc
InChI: InChI=1/C27H33N3O8S2.O.Tc/c1-36-22-10-14-4-6-17(30-26(33)18(12-39)28-8-9-29-19(13-40)27(34)35)16-11-21(32)20(31)7-5-15(16)23(14)25(38-3)24(22)37-2;;/h5,7,10-11,17-19,39-40H,4,6,8-9,12-13H2,1-3H3,(H,30,33)(H,31,32)(H,34,35);;/q-2;;+4/p-2/t17-,18+,19+;;/m0../s1/i;;1+1/fC27H31N3O8S2.O.Tc/h39-40h,30-31,34H;;/q-4;;m/rC27H33N3O8S2.OTc/c1-36-22-10-14-4-6-17(30-26(33)18(12-39)28-8-9-29-19(13-40)27(34)35)16-11-21(32)20(31)7-5-15(16)23(14)25(38-3)24(22)37-2;1-2/h5,7,10-11,17-19,39-40H,4,6,8-9,12-13H2,1-3H3,(H,30,33)(H,31,32)(H,34,35);/q-2;+4/p-2/t17-,18+,19+;/m0./s1/i;2+1/fC27H31N3O8S2.OTc/h39-40h,30-31,34H;/q-4;m
InChIKey: InChIKey=FHKXQLKQRHGZID-CBTGHZAGHI
SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)NC(=O)C(C[S-])[N-]CC[N-]C(C[S-])C(=O)O)OC)OC.O=[Tc+4]
Names:
MOLI000025
Registries:
PubChem CID 449653
PubChem ID 22
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