5,6,7,8-tetra(propan-2-yl)pyrene-4-thiol

Systemtic Name: 5,6,7,8-tetra(propan-2-yl)pyrene-4-thiol Openeye Name: 5,6,7,8-tetraisopropylpyrene-4-thiol CAS Name: 5,6,7,8-tetra(propan-2-yl)-4-pyrenethiol IUPAC Name: 5,6,7,8-tetra(propan-2-yl)pyrene-4-thiol Traditional Name: 5,6,7,8-tetraisopropylpyrene-4-thiol Formula: C28H34S MolecularWeight: 402.63456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C3=C1C=CC4=C3C(=CC=C4)C(=C2C(C)C)S)C(C)C)C(C)C

Isomeric SMILES

CC(C)C1=C(C(=C2C3=C1C=CC4=C3C(=CC=C4)C(=C2C(C)C)S)C(C)C)C(C)C

InChI

InChI=1S/C28H34S/c1-14(2)21-19-13-12-18-10-9-11-20-25(18)26(19)27(24(17(7)8)28(20)29)23(16(5)6)22(21)15(3)4/h9-17,29H,1-8H3