1,3,5-tris(2-isothiocyanatoethyl)-2,4,6-tris(3-methylbutyl)benzene

Systemtic Name: 1,3,5-tris(2-isothiocyanatoethyl)-2,4,6-tris(3-methylbutyl)benzene Openeye Name: 1,3,5-triisopentyl-2,4,6-tris(2-isothiocyanatoethyl)benzene CAS Name: 1,3,5-tris(2-isothiocyanatoethyl)-2,4,6-tris(3-methylbutyl)benzene IUPAC Name: 1,3,5-tris(2-isothiocyanatoethyl)-2,4,6-tris(3-methylbutyl)benzene Traditional Name: 1,3,5-triisoamyl-2,4,6-tris(2-isothiocyanatoethyl)benzene Formula: C30H45N3S3 MolecularWeight: 543.8934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=C(C(=C1CCN=C=S)CCC(C)C)CCN=C=S)CCC(C)C)CCN=C=S

Isomeric SMILES

CC(C)CCC1=C(C(=C(C(=C1CCN=C=S)CCC(C)C)CCN=C=S)CCC(C)C)CCN=C=S

InChI

InChI=1S/C30H45N3S3/c1-22(2)7-10-25-28(13-16-31-19-34)26(11-8-23(3)4)30(15-18-33-21-36)27(12-9-24(5)6)29(25)14-17-32-20-35/h22-24H,7-18H2,1-6H3