5-butyl-2,9-ditert-butyl-12-methyl-chrysene

Systemtic Name: 5-butyl-2,9-ditert-butyl-12-methyl-chrysene Openeye Name: 5-butyl-2,9-ditert-butyl-12-methyl-chrysene CAS Name: 5-butyl-2,9-ditert-butyl-12-methylchrysene IUPAC Name: 5-butyl-2,9-ditert-butyl-12-methylchrysene Traditional Name: 5-butyl-2,9-ditert-butyl-12-methyl-chrysene Formula: C31H38 MolecularWeight: 410.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C3=C(C=C(C=C3)C(C)(C)C)C(=CC2=C4C=C(C=CC4=C1)C(C)(C)C)C

Isomeric SMILES

CCCCC1=C2C3=C(C=C(C=C3)C(C)(C)C)C(=CC2=C4C=C(C=CC4=C1)C(C)(C)C)C

InChI

InChI=1S/C31H38/c1-9-10-11-22-17-21-12-13-23(30(3,4)5)19-27(21)28-16-20(2)26-18-24(31(6,7)8)14-15-25(26)29(22)28/h12-19H,9-11H2,1-8H3