1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid

Systemtic Name: 1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Openeye Name: 1-[(2-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid CAS Name: 1-[(2-sulfo-1-naphthalenyl)methyl]-2-naphthalenesulfonic acid IUPAC Name: 1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Traditional Name: 1-[(2-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid Formula: C21H16O6S2 MolecularWeight: 428.47814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16O6S2/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)