3-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]benzoic acid

Systemtic Name: 3-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]benzoic acid Openeye Name: 3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]benzoic acid CAS Name: 3-[[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]methyl]benzoic acid IUPAC Name: 3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]benzoic acid Traditional Name: 3-[[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]methyl]benzoic acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18O4S/c22-20-10-17(12-26-11-13-3-1-6-16(7-13)21(23)24)18-8-14-4-2-5-15(14)9-19(18)25-20/h1,3,6-10H,2,4-5,11-12H2,(H,23,24)