sodium 3-[3-[3-oxidanylpropylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[3-[3-oxidanylpropylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropoxy]propane-1-sulfonate Openeye Name: sodium 3-[3-[(10-benzylacridin-9-ylidene)-(3-hydroxypropylsulfanyl)methyl]sulfanylpropoxy]propane-1-sulfonate CAS Name: sodium 3-[3-[[(3-hydroxypropylthio)-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]propoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3-[(10-benzylacridin-9-ylidene)-(3-hydroxypropylsulfanyl)methyl]sulfanylpropoxy]propane-1-sulfonate Traditional Name: sodium 3-[3-[[(10-benzylacridin-9-ylidene)-(3-hydroxypropylthio)methyl]thio]propoxy]propane-1-sulfonate Formula: C30H34NNaO5S3 MolecularWeight: 607.77943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCO)SCCCOCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(SCCCO)SCCCOCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

InChI

InChI=1S/C30H35NO5S3.Na/c32-17-8-20-37-30(38-21-9-18-36-19-10-22-39(33,34)35)29-25-13-4-6-15-27(25)31(23-24-11-2-1-3-12-24)28-16-7-5-14-26(28)29;/h1-7,11-16,32H,8-10,17-23H2,(H,33,34,35);/q;+1/p-1