3-[(3,4-dimethoxyphenyl)methyliminomethyl]-7-oxidanyl-5,6-dihydrobenzo[h]chromen-4-one hydrate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-7-oxidanyl-5,6-dihydrobenzo[h]chromen-4-one hydrate Openeye Name: 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-7-hydroxy-5,6-dihydrobenzo[h]chromen-4-one hydrate CAS Name: 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-7-hydroxy-5,6-dihydrobenzo[h][1]benzopyran-4-one hydrate IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyliminomethyl]-7-hydroxy-5,6-dihydrobenzo[h]chromen-4-one hydrate Traditional Name: 7-hydroxy-3-(veratryliminomethyl)-5,6-dihydrobenzo[h]chromen-4-one hydrate Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN=CC2=COC3=C(C2=O)CCC4=C3C=CC=C4O)OC.O

Isomeric SMILES

COC1=C(C=C(C=C1)CN=CC2=COC3=C(C2=O)CCC4=C3C=CC=C4O)OC.O

InChI

InChI=1S/C23H21NO5.H2O/c1-27-20-9-6-14(10-21(20)28-2)11-24-12-15-13-29-23-17-4-3-5-19(25)16(17)7-8-18(23)22(15)26;/h3-6,9-10,12-13,25H,7-8,11H2,1-2H3;1H2