5-(4-hydroxyphenyl)-9-iodanyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 5-(4-hydroxyphenyl)-9-iodanyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-allyl-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 5-(4-hydroxyphenyl)-9-iodo-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 5-(4-hydroxyphenyl)-9-iodo-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-allyl-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C19H20INO3 MolecularWeight: 437.27147

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)I

Isomeric SMILES

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)I

InChI

InChI=1S/C19H20INO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2