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4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxy-thianthrene-1,6-diol

4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxy-thianthrene-1,6-diol

Systemtic Name:4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxy-thianthrene-1,6-diol
Openeye Name:4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxy-thianthrene-1,6-diol
CAS Name:4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxythianthrene-1,6-diol
IUPAC Name:4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxythianthrene-1,6-diol
Traditional Name:4,9-bis(2-dimethylaminoethyl)-2,7-dimethoxy-thianthrene-1,6-diol
Formula: C22H30N2O4S2
MolecularWeight: 450.6146
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C2=C1SC3=C(S2)C(=CC(=C3O)OC)CCN(C)C)O)OC


Isomeric SMILES

CN(C)CCC1=CC(=C(C2=C1SC3=C(S2)C(=CC(=C3O)OC)CCN(C)C)O)OC


InChI

InChI=1S/C22H30N2O4S2/c1-23(2)9-7-13-11-15(27-5)17(25)21-19(13)29-22-18(26)16(28-6)12-14(20(22)30-21)8-10-24(3)4/h11-12,25-26H,7-10H2,1-6H3


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