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5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid

5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid

Systemtic Name:5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
Openeye Name:5-[(6-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid
CAS Name:5-[(6-sulfo-1-naphthalenyl)methyl]-2-naphthalenesulfonic acid
IUPAC Name:5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
Traditional Name:5-[(6-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid
Formula: C21H16O6S2
MolecularWeight: 428.47814
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O


InChI

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


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