7-[(8-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid

Systemtic Name: 7-[(8-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid Openeye Name: 7-[(4-sulfotetralin-6-yl)methyl]naphthalene-1-sulfonic acid CAS Name: 7-[(8-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-naphthalenesulfonic acid IUPAC Name: 7-[(8-sulfo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid Traditional Name: 7-[(4-sulfotetralin-6-yl)methyl]naphthalene-1-sulfonic acid Formula: C21H20O6S2 MolecularWeight: 432.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC(=C2)CC3=CC4=C(C=CC=C4S(=O)(=O)O)C=C3)S(=O)(=O)O

Isomeric SMILES

C1CC(C2=C(C1)C=CC(=C2)CC3=CC4=C(C=CC=C4S(=O)(=O)O)C=C3)S(=O)(=O)O

InChI

InChI=1S/C21H20O6S2/c22-28(23,24)20-5-1-3-16-9-7-14(12-18(16)20)11-15-8-10-17-4-2-6-21(19(17)13-15)29(25,26)27/h1,3,5,7-10,12-13,21H,2,4,6,11H2,(H,22,23,24)(H,25,26,27)