9,10-dihydrophenanthren-1-ylmethyl 4-bromanylbenzenesulfonate

Systemtic Name: 9,10-dihydrophenanthren-1-ylmethyl 4-bromanylbenzenesulfonate Openeye Name: 9,10-dihydrophenanthren-1-ylmethyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 9,10-dihydrophenanthren-1-ylmethyl ester IUPAC Name: 9,10-dihydrophenanthren-1-ylmethyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 9,10-dihydrophenanthren-1-ylmethyl ester Formula: C21H17BrO3S MolecularWeight: 429.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2COS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C41

Isomeric SMILES

C1CC2=C(C=CC=C2COS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C41

InChI

InChI=1S/C21H17BrO3S/c22-17-9-11-18(12-10-17)26(23,24)25-14-16-5-3-7-21-19-6-2-1-4-15(19)8-13-20(16)21/h1-7,9-12H,8,13-14H2