2-[(2-bromanyl-9H-xanthen-9-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-bromanyl-9H-xanthen-9-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-bromo-9H-xanthen-9-yl)sulfanyl]acetic acid CAS Name: 2-[(2-bromo-9H-xanthen-9-yl)thio]acetic acid IUPAC Name: 2-[(2-bromo-9H-xanthen-9-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-bromo-9H-xanthen-9-yl)thio]acetic acid Formula: C15H11BrO3S MolecularWeight: 351.21504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Br)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Br)SCC(=O)O

InChI

InChI=1S/C15H11BrO3S/c16-9-5-6-13-11(7-9)15(20-8-14(17)18)10-3-1-2-4-12(10)19-13/h1-7,15H,8H2,(H,17,18)