1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid

Systemtic Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid Openeye Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid CAS Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid IUPAC Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid Traditional Name: 1-[(Z)-4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; naphthalene-1,5-disulfonic acid Formula: C50H52Cl2N2O6S2 MolecularWeight: 911.99368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1CN(CC1)C/C=C(\C2=CC=CC=C2)/CC3=CC=C(C=C3)Cl.C1CN(CC1)C/C=C(\C2=CC=CC=C2)/CC3=CC=C(C=C3)Cl.C1=CC2=C(C(=C1)S(=O)(=O)O)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)/b2*19-12-;