5-methyl-4-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-methyl-4-(2-naphthylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-methyl-4-[(2-naphthalenylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-methyl-4-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-methyl-4-[(2-naphthylthio)methyl]-2-furoic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H14O3S/c1-11-14(9-16(20-11)17(18)19)10-21-15-7-6-12-4-2-3-5-13(12)8-15/h2-9H,10H2,1H3,(H,18,19)