3-[(10-methylacridin-9-ylidene)-octylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[(10-methylacridin-9-ylidene)-octylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[(10-methylacridin-9-ylidene)-octylsulfanyl-methyl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[(10-methyl-9-acridinylidene)-(octylthio)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[(10-methylacridin-9-ylidene)-octylsulfanylmethyl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[(10-methylacridin-9-ylidene)-(octylthio)methyl]thio]propane-1-sulfonic acid Formula: C26H35NO3S3 MolecularWeight: 505.756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C)SCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C)SCCCS(=O)(=O)O

InChI

InChI=1S/C26H35NO3S3/c1-3-4-5-6-7-12-18-31-26(32-19-13-20-33(28,29)30)25-21-14-8-10-16-23(21)27(2)24-17-11-9-15-22(24)25/h8-11,14-17H,3-7,12-13,18-20H2,1-2H3,(H,28,29,30)