(9-oxidanylidene-3-phenylmethoxy-thioxanthen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (9-oxidanylidene-3-phenylmethoxy-thioxanthen-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-benzyloxy-9-oxo-thioxanthen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-oxo-3-phenylmethoxy-1-thioxanthenyl) ester IUPAC Name: (9-oxo-3-phenylmethoxythioxanthen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzoxy-9-keto-thioxanthen-1-yl) ester Formula: C27H20O5S2 MolecularWeight: 488.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)OCC4=CC=CC=C4)SC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)OCC4=CC=CC=C4)SC5=CC=CC=C5C3=O

InChI

InChI=1S/C27H20O5S2/c1-18-11-13-21(14-12-18)34(29,30)32-23-15-20(31-17-19-7-3-2-4-8-19)16-25-26(23)27(28)22-9-5-6-10-24(22)33-25/h2-16H,17H2,1H3