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4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid

4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid

Systemtic Name:4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid
Openeye Name:4-[(4-sulfo-1-naphthyl)methyl]naphthalene-1-sulfonic acid
CAS Name:4-[(4-sulfo-1-naphthalenyl)methyl]-1-naphthalenesulfonic acid
IUPAC Name:4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid
Traditional Name:4-[(4-sulfo-1-naphthyl)methyl]naphthalene-1-sulfonic acid
Formula: C21H16O6S2
MolecularWeight: 428.47814
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)CC3=CC=C(C4=CC=CC=C34)S(=O)(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)CC3=CC=C(C4=CC=CC=C34)S(=O)(=O)O


InChI

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


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