[9-chloranyl-5-(4-hydroxyphenyl)-8-oxidanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate

Systemtic Name: [9-chloranyl-5-(4-hydroxyphenyl)-8-oxidanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate Openeye Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate CAS Name: sulfuric acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester IUPAC Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester Formula: C16H16ClNO6S MolecularWeight: 385.81934

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)C3=CC=C(C=C3)O

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H16ClNO6S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(16(15)20)24-25(21,22)23/h1-4,7,13,18-20H,5-6,8H2,(H,21,22,23)