2-[[(2S)-3-methanoyl-2-phenyl-2H-chromen-4-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(2S)-3-methanoyl-2-phenyl-2H-chromen-4-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(2S)-3-formyl-2-phenyl-2H-chromen-4-yl]sulfanyl]acetic acid CAS Name: 2-[[(2S)-3-formyl-2-phenyl-2H-1-benzopyran-4-yl]thio]acetic acid IUPAC Name: 2-[[(2S)-3-formyl-2-phenyl-2H-chromen-4-yl]sulfanyl]acetic acid Traditional Name: 2-[[(2S)-3-formyl-2-phenyl-2H-chromen-4-yl]thio]acetic acid Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3O2)SCC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=C(C3=CC=CC=C3O2)SCC(=O)O)C=O

InChI

InChI=1S/C18H14O4S/c19-10-14-17(12-6-2-1-3-7-12)22-15-9-5-4-8-13(15)18(14)23-11-16(20)21/h1-10,17H,11H2,(H,20,21)/t17-/m0/s1