1-iodanyl-4-methyl-benzene; pyrene-1-sulfonate

Systemtic Name: 1-iodanyl-4-methyl-benzene; pyrene-1-sulfonate Openeye Name: 1-iodo-4-methyl-benzene; pyrene-1-sulfonate CAS Name: 1-iodo-4-methylbenzene; 1-pyrenesulfonate IUPAC Name: 1-iodo-4-methylbenzene; pyrene-1-sulfonate Traditional Name: 1-iodo-4-methyl-benzene; pyrene-1-sulfonate Formula: C23H16IO3S- MolecularWeight: 499.34081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)I.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)I.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H10O3S.C7H7I/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;1-6-2-4-7(8)5-3-6/h1-9H,(H,17,18,19);2-5H,1H3/p-1