2-(4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-2-yl)benzoic acid

Systemtic Name: 2-(4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-2-yl)benzoic acid Openeye Name: 2-(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-2-yl)benzoic acid CAS Name: 2-(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-2-yl)benzoic acid IUPAC Name: 2-(4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-2-yl)benzoic acid Traditional Name: 2-(4-hydroxy-7-keto-3-phenoxy-5,6,8,8a-tetrahydrochromen-2-yl)benzoic acid Formula: C22H18O6 MolecularWeight: 378.37472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(OC2CC1=O)C3=CC=CC=C3C(=O)O)OC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C(=C(OC2CC1=O)C3=CC=CC=C3C(=O)O)OC4=CC=CC=C4)O

InChI

InChI=1S/C22H18O6/c23-13-10-11-17-18(12-13)28-20(15-8-4-5-9-16(15)22(25)26)21(19(17)24)27-14-6-2-1-3-7-14/h1-9,18,24H,10-12H2,(H,25,26)