sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)acridin-10-yl]propoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)acridin-10-yl]propoxy]propane-1-sulfonate Openeye Name: sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)acridin-10-yl]propoxy]propane-1-sulfonate CAS Name: sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)-10-acridinyl]propoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)acridin-10-yl]propoxy]propane-1-sulfonate Traditional Name: sodium 3-[3-[9-(1,3-benzodithiol-2-ylidene)acridin-10-yl]propoxy]propane-1-sulfonate Formula: C26H24NNaO4S3 MolecularWeight: 533.65783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3SC4=CC=CC=C4S3)C5=CC=CC=C5N2CCCOCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3SC4=CC=CC=C4S3)C5=CC=CC=C5N2CCCOCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H25NO4S3.Na/c28-34(29,30)18-8-17-31-16-7-15-27-21-11-3-1-9-19(21)25(20-10-2-4-12-22(20)27)26-32-23-13-5-6-14-24(23)33-26;/h1-6,9-14H,7-8,15-18H2,(H,28,29,30);/q;+1/p-1