6-butoxycarbonylnaphthalene-1-sulfonic acid

Systemtic Name: 6-butoxycarbonylnaphthalene-1-sulfonic acid Openeye Name: 6-butoxycarbonylnaphthalene-1-sulfonic acid CAS Name: 6-[butoxy(oxo)methyl]-1-naphthalenesulfonic acid IUPAC Name: 6-butoxycarbonylnaphthalene-1-sulfonic acid Traditional Name: 6-butoxycarbonylnaphthalene-1-sulfonic acid Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)C(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)C(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H16O5S/c1-2-3-9-20-15(16)12-7-8-13-11(10-12)5-4-6-14(13)21(17,18)19/h4-8,10H,2-3,9H2,1H3,(H,17,18,19)