1,3,6,8-tetra(propan-2-yl)pyrene-2-thiol

Systemtic Name: 1,3,6,8-tetra(propan-2-yl)pyrene-2-thiol Openeye Name: 1,3,6,8-tetraisopropylpyrene-2-thiol CAS Name: 1,3,6,8-tetra(propan-2-yl)-2-pyrenethiol IUPAC Name: 1,3,6,8-tetra(propan-2-yl)pyrene-2-thiol Traditional Name: 1,3,6,8-tetraisopropylpyrene-2-thiol Formula: C28H34S MolecularWeight: 402.63456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)C(C)C)S)C(C)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)C(C)C)S)C(C)C)C(C)C

InChI

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