3-ethenyl-4-[(3E,4Z)-3-ethylidene-4-(2-phenylthiochromen-4-ylidene)cyclohexen-1-yl]-2-phenyl-thiochromenylium perchlorate

Systemtic Name: 3-ethenyl-4-[(3E,4Z)-3-ethylidene-4-(2-phenylthiochromen-4-ylidene)cyclohexen-1-yl]-2-phenyl-thiochromenylium perchlorate Openeye Name: 4-[(3E,4Z)-3-ethylidene-4-(2-phenylthiochromen-4-ylidene)cyclohexen-1-yl]-2-phenyl-3-vinyl-thiochromenylium perchlorate CAS Name: 3-ethenyl-4-[(3E,4Z)-3-ethylidene-4-(2-phenyl-1-benzothiopyran-4-ylidene)-1-cyclohexenyl]-2-phenyl-1-benzothiopyrylium perchlorate IUPAC Name: 3-ethenyl-4-[(3E,4Z)-3-ethylidene-4-(2-phenylthiochromen-4-ylidene)cyclohexen-1-yl]-2-phenylthiochromenylium perchlorate Traditional Name: 4-[(3E,4Z)-3-ethylidene-4-(2-phenylthiochromen-4-ylidene)cyclohexen-1-yl]-2-phenyl-3-vinyl-1-benzothiopyrylium perchlorate Formula: C40H31ClO4S2 MolecularWeight: 675.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C=C(CCC1=C2C=C(SC3=CC=CC=C32)C4=CC=CC=C4)C5=C(C(=[S+]C6=CC=CC=C65)C7=CC=CC=C7)C=C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C=C/1\C=C(CC\C1=C\2/C=C(SC3=CC=CC=C32)C4=CC=CC=C4)C5=C(C(=[S+]C6=CC=CC=C65)C7=CC=CC=C7)C=C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C40H31S2.ClHO4/c1-3-27-25-30(39-31(4-2)40(29-17-9-6-10-18-29)42-37-22-14-12-20-34(37)39)23-24-32(27)35-26-38(28-15-7-5-8-16-28)41-36-21-13-11-19-33(35)36;2-1(3,4)5/h3-22,25-26H,2,23-24H2,1H3;(H,2,3,4,5)/q+1;/p-1/b27-3+,35-32-;