3-[(10-methylacridin-9-ylidene)-(3-sulfopropylsulfanyl)methyl]sulfanylpropyl sulfite

Systemtic Name: 3-[(10-methylacridin-9-ylidene)-(3-sulfopropylsulfanyl)methyl]sulfanylpropyl sulfite Openeye Name: 3-[(10-methylacridin-9-ylidene)-(3-sulfopropylsulfanyl)methyl]sulfanylpropyl sulfite CAS Name: 3-[[(10-methyl-9-acridinylidene)-(3-sulfopropylthio)methyl]thio]propyl sulfite IUPAC Name: 3-[(10-methylacridin-9-ylidene)-(3-sulfopropylsulfanyl)methyl]sulfanylpropyl sulfite Traditional Name: 3-[[(10-methylacridin-9-ylidene)-(3-sulfopropylthio)methyl]thio]propyl sulfite Formula: C21H24NO6S4- MolecularWeight: 514.67836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(SCCCOS(=O)[O-])SCCCS(=O)(=O)O)C3=CC=CC=C31

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(SCCCOS(=O)[O-])SCCCS(=O)(=O)O)C3=CC=CC=C31

InChI

InChI=1S/C21H25NO6S4/c1-22-18-10-4-2-8-16(18)20(17-9-3-5-11-19(17)22)21(29-13-6-12-28-31(23)24)30-14-7-15-32(25,26)27/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,24)(H,25,26,27)/p-1