3-pentoxy-3,4-dihydro-2H-chromene-2-carboxylate hydrate

Systemtic Name: 3-pentoxy-3,4-dihydro-2H-chromene-2-carboxylate hydrate Openeye Name: 3-pentoxychromane-2-carboxylate hydrate CAS Name: 3-pentoxy-3,4-dihydro-2H-1-benzopyran-2-carboxylate hydrate IUPAC Name: 3-pentoxy-3,4-dihydro-2H-chromene-2-carboxylate hydrate Traditional Name: 3-amoxychroman-2-carboxylate hydrate Formula: C15H21O5- MolecularWeight: 281.32424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1CC2=CC=CC=C2OC1C(=O)[O-].O

Isomeric SMILES

CCCCCOC1CC2=CC=CC=C2OC1C(=O)[O-].O

InChI

InChI=1S/C15H20O4.H2O/c1-2-3-6-9-18-13-10-11-7-4-5-8-12(11)19-14(13)15(16)17;/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3,(H,16,17);1H2/p-1