naphthalene-1,8-dicarboxylate; 3-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium

Systemtic Name: naphthalene-1,8-dicarboxylate; 3-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium Openeye Name: naphthalene-1,8-dicarboxylate; 3-[(E)-2-pyridin-1-ium-4-ylvinyl]pyridin-1-ium CAS Name: naphthalene-1,8-dicarboxylate; 3-[(E)-2-(4-pyridin-1-iumyl)ethenyl]pyridin-1-ium IUPAC Name: naphthalene-1,8-dicarboxylate; 3-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium Traditional Name: naphthalate; 3-[(E)-2-pyridin-1-ium-4-ylvinyl]pyridin-1-ium Formula: C48H36N4O8 MolecularWeight: 796.82144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)[O-])C(=CC=C2)C(=O)[O-].C1=CC2=C(C(=C1)C(=O)[O-])C(=CC=C2)C(=O)[O-].C1=CC(=C[NH+]=C1)C=CC2=CC=[NH+]C=C2.C1=CC(=C[NH+]=C1)C=CC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC2=C(C(=CC=C2)C(=O)[O-])C(=C1)C(=O)[O-].C1=CC2=C(C(=CC=C2)C(=O)[O-])C(=C1)C(=O)[O-].C1=CC(=C[NH+]=C1)/C=C/C2=CC=[NH+]C=C2.C1=CC(=C[NH+]=C1)/C=C/C2=CC=[NH+]C=C2

InChI

InChI=1S/2C12H10N2.2C12H8O4/c2*1-2-12(10-14-7-1)4-3-11-5-8-13-9-6-11;2*13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h2*1-10H;2*1-6H,(H,13,14)(H,15,16)/b2*4-3+;;