[2-imidazol-1-yl-1-(4-phenoxyphenyl)ethyl] ethanoate; naphthalene-1,2-disulfonic acid

Systemtic Name: [2-imidazol-1-yl-1-(4-phenoxyphenyl)ethyl] ethanoate; naphthalene-1,2-disulfonic acid Openeye Name: [2-imidazol-1-yl-1-(4-phenoxyphenyl)ethyl] acetate; naphthalene-1,2-disulfonic acid CAS Name: acetic acid [2-(1-imidazolyl)-1-(4-phenoxyphenyl)ethyl] ester; naphthalene-1,2-disulfonic acid IUPAC Name: [2-imidazol-1-yl-1-(4-phenoxyphenyl)ethyl] acetate; naphthalene-1,2-disulfonic acid Traditional Name: acetic acid [2-imidazol-1-yl-1-(4-phenoxyphenyl)ethyl] ester; naphthalene-1,2-disulfonic acid Formula: C29H26N2O9S2 MolecularWeight: 610.65474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1C=CN=C1)C2=CC=C(C=C2)OC3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)OC(CN1C=CN=C1)C2=CC=C(C=C2)OC3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H18N2O3.C10H8O6S2/c1-15(22)23-19(13-21-12-11-20-14-21)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17;11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h2-12,14,19H,13H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)