(E)-5-oxidanyl-3-oxidanylidene-8-thioxanthen-9-ylidene-oct-6-enoic acid

Systemtic Name: (E)-5-oxidanyl-3-oxidanylidene-8-thioxanthen-9-ylidene-oct-6-enoic acid Openeye Name: (E)-5-hydroxy-3-oxo-8-thioxanthen-9-ylidene-oct-6-enoic acid CAS Name: (E)-5-hydroxy-3-oxo-8-(9-thioxanthenylidene)-6-octenoic acid IUPAC Name: (E)-5-hydroxy-3-oxo-8-thioxanthen-9-ylideneoct-6-enoic acid Traditional Name: (E)-5-hydroxy-3-keto-8-thioxanthen-9-ylidene-oct-6-enoic acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=CC(CC(=O)CC(=O)O)O)C3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C=C/C(CC(=O)CC(=O)O)O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H18O4S/c22-14(12-15(23)13-21(24)25)6-5-9-16-17-7-1-3-10-19(17)26-20-11-4-2-8-18(16)20/h1-11,14,22H,12-13H2,(H,24,25)/b6-5+