4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate

Systemtic Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate Openeye Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate CAS Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate IUPAC Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoate Traditional Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butyrate Formula: C20H19O3S2- MolecularWeight: 371.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(CCC(=O)[O-])C2=CC=C(C=C2)OC3=CC=CC=C3)SC1

Isomeric SMILES

C1CSC(=C(CCC(=O)[O-])C2=CC=C(C=C2)OC3=CC=CC=C3)SC1

InChI

InChI=1S/C20H20O3S2/c21-19(22)12-11-18(20-24-13-4-14-25-20)15-7-9-17(10-8-15)23-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,21,22)/p-1