(1-phenylbiphenylen-2-yl)sulfanium; pyrene-1-sulfonate

Systemtic Name: (1-phenylbiphenylen-2-yl)sulfanium; pyrene-1-sulfonate Openeye Name: (1-phenylbiphenylen-2-yl)sulfonium; pyrene-1-sulfonate CAS Name: (1-phenyl-2-biphenylenyl)sulfonium; 1-pyrenesulfonate IUPAC Name: (1-phenylbiphenylen-2-yl)sulfanium; pyrene-1-sulfonate Traditional Name: (1-phenylbiphenylen-2-yl)sulfonium; pyrene-1-sulfonate Formula: C34H22O3S2 MolecularWeight: 542.66668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+].C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+].C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C18H12S.C16H10O3S/c19-16-11-10-15-13-8-4-5-9-14(13)18(15)17(16)12-6-2-1-3-7-12;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-11,19H;1-9H,(H,17,18,19)