(2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrakis(chloranyl)-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]ethanenitrile

Systemtic Name: (2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrakis(chloranyl)-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]ethanenitrile Openeye Name: (2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrachloro-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]acetonitrile CAS Name: (2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrachloro-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]acetonitrile IUPAC Name: (2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrachloro-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]acetonitrile Traditional Name: (2Z)-2-(4a,8a-dihydro-1H-quinolin-4-ylidene)-2-[2',5,6,7'-tetrachloro-6'-[(Z)-cyano(1H-quinolin-4-ylidene)methyl]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]acetonitrile Formula: C42H22Cl4N4O3 MolecularWeight: 772.46108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C#N)C3=CC4=C(C=C3Cl)C5(C6=CC(=C(C=C6C(=O)O5)Cl)Cl)C7=C(O4)C=C(C(=C7)Cl)C(=C8C=CNC9C8C=CC=C9)C#N)C=CN2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C(\C#N)/C3=CC4=C(C=C3Cl)C5(C6=CC(=C(C=C6C(=O)O5)Cl)Cl)C7=C(O4)C=C(C(=C7)Cl)/C(=C/8\C=CNC9C8C=CC=C9)/C#N)/C=CN2

InChI

InChI=1S/C42H22Cl4N4O3/c43-33-17-31-39(14-25(33)28(19-47)21-9-11-49-37-7-3-1-5-23(21)37)52-40-15-26(29(20-48)22-10-12-50-38-8-4-2-6-24(22)38)34(44)18-32(40)42(31)30-16-36(46)35(45)13-27(30)41(51)53-42/h1-18,23,37,49-50H/b28-21+,29-22+