4-[(E)-2-[2-(3-oxidanylideneisothiochromen-1-yl)phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[2-(3-oxidanylideneisothiochromen-1-yl)phenyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[2-(3-oxoisothiochromen-1-yl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[2-(3-oxo-2-benzothiopyran-1-yl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[2-(3-oxoisothiochromen-1-yl)phenyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[2-(3-ketoisothiochromen-1-yl)phenyl]vinyl]benzoic acid Formula: C24H16O3S MolecularWeight: 384.44704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=CC=C(C=C2)C(=O)O)C3=C4C=CC=CC4=CC(=O)S3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)C(=O)O)C3=C4C=CC=CC4=CC(=O)S3

InChI

InChI=1S/C24H16O3S/c25-22-15-19-6-2-4-8-21(19)23(28-22)20-7-3-1-5-17(20)12-9-16-10-13-18(14-11-16)24(26)27/h1-15H,(H,26,27)/b12-9+