[3-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl] pentane-1-sulfonate

Systemtic Name: [3-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl] pentane-1-sulfonate Openeye Name: (3-tetralin-5-ylphenyl) pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid (3-tetralin-5-ylphenyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C3CCCCC3=CC=C2

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C3CCCCC3=CC=C2

InChI

InChI=1S/C21H26O3S/c1-2-3-6-15-25(22,23)24-19-12-7-11-18(16-19)21-14-8-10-17-9-4-5-13-20(17)21/h7-8,10-12,14,16H,2-6,9,13,15H2,1H3