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

Systemtic Name: 3-(7-methoxy-4-methyl-benzo[g][1]benzothiol-5-yl)propanoic acid Openeye Name: 3-(7-methoxy-4-methyl-benzo[g]benzothiophen-5-yl)propanoic acid CAS Name: 3-(7-methoxy-4-methyl-5-benzo[g][1]benzothiolyl)propanoic acid IUPAC Name: 3-(7-methoxy-4-methylbenzo[g][1]benzothiol-5-yl)propanoic acid Traditional Name: 3-(7-methoxy-4-methyl-benzo[g]benzothiophen-5-yl)propionic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c1-10-12(5-6-16(18)19)15-9-11(20-2)3-4-14(15)17-13(10)7-8-21-17/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)