3-(2-methyl-9-oxidanylidene-thioxanthen-1-yl)propanoate

Systemtic Name: 3-(2-methyl-9-oxidanylidene-thioxanthen-1-yl)propanoate Openeye Name: 3-(2-methyl-9-oxo-thioxanthen-1-yl)propanoate CAS Name: 3-(2-methyl-9-oxo-1-thioxanthenyl)propanoate IUPAC Name: 3-(2-methyl-9-oxothioxanthen-1-yl)propanoate Traditional Name: 3-(9-keto-2-methyl-thioxanthen-1-yl)propionate Formula: C17H13O3S- MolecularWeight: 297.34832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC3=CC=CC=C3C2=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)SC3=CC=CC=C3C2=O)CCC(=O)[O-]

InChI

InChI=1S/C17H14O3S/c1-10-6-8-14-16(11(10)7-9-15(18)19)17(20)12-4-2-3-5-13(12)21-14/h2-6,8H,7,9H2,1H3,(H,18,19)/p-1