(3S,4S)-3-(3-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate

Systemtic Name: (3S,4S)-3-(3-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylate Openeye Name: (3S,4S)-3-(3-methoxyphenyl)-1-oxo-isochromane-4-carboxylate CAS Name: (3S,4S)-3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylate IUPAC Name: (3S,4S)-3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylate Traditional Name: (3S,4S)-1-keto-3-(3-methoxyphenyl)isochroman-4-carboxylate Formula: C17H13O5- MolecularWeight: 297.28212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)O2)C(=O)[O-]

InChI

InChI=1S/C17H14O5/c1-21-11-6-4-5-10(9-11)15-14(16(18)19)12-7-2-3-8-13(12)17(20)22-15/h2-9,14-15H,1H3,(H,18,19)/p-1/t14-,15+/m0/s1