1-chloranyl-3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile; 3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

Systemtic Name: 1-chloranyl-3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile; 3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile Openeye Name: 5-chloro-7-hydroxy-tetralin-6-carbonitrile; 7-hydroxytetralin-6-carbonitrile CAS Name: 1-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile; 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile IUPAC Name: 1-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile; 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile Traditional Name: 5-chloro-7-hydroxy-tetralin-6-carbonitrile; 7-hydroxytetralin-6-carbonitrile Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=C(C=C2C1)O)C#N)Cl.C1CCC2=C(C1)C=C(C(=C2)O)C#N

Isomeric SMILES

C1CCC2=C(C(=C(C=C2C1)O)C#N)Cl.C1CCC2=C(C1)C=C(C(=C2)O)C#N

InChI

InChI=1S/C11H10ClNO.C11H11NO/c12-11-8-4-2-1-3-7(8)5-10(14)9(11)6-13;12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h5,14H,1-4H2;5-6,13H,1-4H2