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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)O)C3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)O)C3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C21H16O6S2/c1-13-5-6-15-12-17(29(25,26)27)8-10-19(15)21(13)20-4-2-3-14-11-16(28(22,23)24)7-9-18(14)20/h2-12H,1H3,(H,22,23,24)(H,25,26,27)