9-bromanyl-2,3,4-tris-decoxy-12-methyl-chrysene

Systemtic Name: 9-bromanyl-2,3,4-tris-decoxy-12-methyl-chrysene Openeye Name: 9-bromo-2,3,4-tris-decoxy-12-methyl-chrysene CAS Name: 9-bromo-2,3,4-tris-decoxy-12-methylchrysene IUPAC Name: 9-bromo-2,3,4-tris-decoxy-12-methylchrysene Traditional Name: 9-bromo-2,3,4-tris-decoxy-12-methyl-chrysene Formula: C49H73BrO3 MolecularWeight: 790.00612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C3C(=C2C(=C1OCCCCCCCCCC)OCCCCCCCCCC)C=CC4=C3C=C(C=C4)Br)C

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C3C(=C2C(=C1OCCCCCCCCCC)OCCCCCCCCCC)C=CC4=C3C=C(C=C4)Br)C

InChI

InChI=1S/C49H73BrO3/c1-5-8-11-14-17-20-23-26-33-51-46-38-43-39(4)36-45-42(32-30-40-29-31-41(50)37-44(40)45)47(43)49(53-35-28-25-22-19-16-13-10-7-3)48(46)52-34-27-24-21-18-15-12-9-6-2/h29-32,36-38H,5-28,33-35H2,1-4H3