9,10-bis(4-hexoxyphenyl)-2,7-bis(iodanyl)phenanthrene

Systemtic Name: 9,10-bis(4-hexoxyphenyl)-2,7-bis(iodanyl)phenanthrene Openeye Name: 9,10-bis(4-hexoxyphenyl)-2,7-diiodo-phenanthrene CAS Name: 9,10-bis(4-hexoxyphenyl)-2,7-diiodophenanthrene IUPAC Name: 9,10-bis(4-hexoxyphenyl)-2,7-diiodophenanthrene Traditional Name: 9,10-bis(4-hexoxyphenyl)-2,7-diiodo-phenanthrene Formula: C38H40I2O2 MolecularWeight: 782.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=C(C=C5)OCCCCCC)I)I

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=C(C=C5)OCCCCCC)I)I

InChI

InChI=1S/C38H40I2O2/c1-3-5-7-9-23-41-31-17-11-27(12-18-31)37-35-25-29(39)15-21-33(35)34-22-16-30(40)26-36(34)38(37)28-13-19-32(20-14-28)42-24-10-8-6-4-2/h11-22,25-26H,3-10,23-24H2,1-2H3