disodium (Z)-1,2-bis[4-[(4-naphthalen-2-yloxypyrimidin-2-yl)amino]phenyl]ethene-1,2-disulfonate

Systemtic Name: disodium (Z)-1,2-bis[4-[(4-naphthalen-2-yloxypyrimidin-2-yl)amino]phenyl]ethene-1,2-disulfonate Openeye Name: disodium (Z)-1,2-bis[4-[[4-(2-naphthyloxy)pyrimidin-2-yl]amino]phenyl]ethene-1,2-disulfonate CAS Name: disodium (Z)-1,2-bis[4-[[4-(2-naphthalenyloxy)-2-pyrimidinyl]amino]phenyl]ethene-1,2-disulfonate IUPAC Name: disodium (Z)-1,2-bis[4-[(4-naphthalen-2-yloxypyrimidin-2-yl)amino]phenyl]ethene-1,2-disulfonate Traditional Name: disodium (Z)-1,2-bis[4-[[4-(2-naphthoxy)pyrimidin-2-yl]amino]phenyl]ethene-1,2-disulfonate Formula: C42H28N6Na2O8S2 MolecularWeight: 854.81666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C(=C(C5=CC=C(C=C5)NC6=NC=CC(=N6)OC7=CC8=CC=CC=C8C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC3=NC(=NC=C3)NC4=CC=C(C=C4)/C(=C(\C5=CC=C(C=C5)NC6=NC=CC(=N6)OC7=CC8=CC=CC=C8C=C7)/S(=O)(=O)[O-])/S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C42H30N6O8S2.2Na/c49-57(50,51)39(29-9-15-33(16-10-29)45-41-43-23-21-37(47-41)55-35-19-13-27-5-1-3-7-31(27)25-35)40(58(52,53)54)30-11-17-34(18-12-30)46-42-44-24-22-38(48-42)56-36-20-14-28-6-2-4-8-32(28)26-36;;/h1-26H,(H,43,45,47)(H,44,46,48)(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b40-39-;;