3-(7-methoxy-4-methyl-benzo[g][1]benzothiol-5-yl)propane-1-sulfonic acid

Systemtic Name: 3-(7-methoxy-4-methyl-benzo[g][1]benzothiol-5-yl)propane-1-sulfonic acid Openeye Name: 3-(7-methoxy-4-methyl-benzo[g]benzothiophen-5-yl)propane-1-sulfonic acid CAS Name: 3-(7-methoxy-4-methyl-5-benzo[g][1]benzothiolyl)-1-propanesulfonic acid IUPAC Name: 3-(7-methoxy-4-methylbenzo[g][1]benzothiol-5-yl)propane-1-sulfonic acid Traditional Name: 3-(7-methoxy-4-methyl-benzo[g]benzothiophen-5-yl)propane-1-sulfonic acid Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)OC)C3=C1C=CS3)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)OC)C3=C1C=CS3)CCCS(=O)(=O)O

InChI

InChI=1S/C17H18O4S2/c1-11-13(4-3-9-23(18,19)20)16-10-12(21-2)5-6-15(16)17-14(11)7-8-22-17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20)