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

Systemtic Name: (4-acetyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b][1]benzothiole Openeye Name: (4-acetoxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b]benzothiophene CAS Name: (4-acetyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b][1]benzothiole IUPAC Name: (4-acetyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b][1]benzothiole Traditional Name: (4-acetoxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b]benzothiophene Formula: C28H28NO4S- MolecularWeight: 474.59122

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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)OC(=O)C)[O-].C1C2=C1SC3=CC=CC=C23

Isomeric SMILES

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

InChI

InChI=1S/C19H22NO4.C9H6S/c1-13(20(3)4)23-17-9-5-15(6-10-17)19(22)16-7-11-18(12-8-16)24-14(2)21;1-2-4-8-6(3-1)7-5-9(7)10-8/h5-13,19H,1-4H3;1-4H,5H2/q-1;