1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate

Systemtic Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate Openeye Name: 1H-cyclopropa[b]benzothiophene; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate CAS Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate IUPAC Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate Traditional Name: 1H-cyclopropa[b]benzothiophene; [4-[1-(dimethylamino)ethoxy]phenyl]-(4-hydroxyphenyl)methanolate Formula: C26H26NO3S- MolecularWeight: 432.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)[O-].C1C2=C1SC3=CC=CC=C23

Isomeric SMILES

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)[O-].C1C2=C1SC3=CC=CC=C23

InChI

InChI=1S/C17H20NO3.C9H6S/c1-12(18(2)3)21-16-10-6-14(7-11-16)17(20)13-4-8-15(19)9-5-13;1-2-4-8-6(3-1)7-5-9(7)10-8/h4-12,17,19H,1-3H3;1-4H,5H2/q-1;