3-methyl-1-(phenylmethyl)naphthalene-2-sulfonic acid; 1-(phenylmethyl)naphthalene-2-sulfonic acid

Systemtic Name: 3-methyl-1-(phenylmethyl)naphthalene-2-sulfonic acid; 1-(phenylmethyl)naphthalene-2-sulfonic acid Openeye Name: 1-benzyl-3-methyl-naphthalene-2-sulfonic acid; 1-benzylnaphthalene-2-sulfonic acid CAS Name: 3-methyl-1-(phenylmethyl)-2-naphthalenesulfonic acid; 1-(phenylmethyl)-2-naphthalenesulfonic acid IUPAC Name: 1-benzyl-3-methylnaphthalene-2-sulfonic acid; 1-benzylnaphthalene-2-sulfonic acid Traditional Name: 1-benzyl-3-methyl-naphthalene-2-sulfonic acid; 1-benzylnaphthalene-2-sulfonic acid Formula: C35H30O6S2 MolecularWeight: 610.7391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)CC3=CC=CC=C3.C1=CC=C(C=C1)CC2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)CC3=CC=CC=C3.C1=CC=C(C=C1)CC2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C18H16O3S.C17H14O3S/c1-13-11-15-9-5-6-10-16(15)17(18(13)22(19,20)21)12-14-7-3-2-4-8-14;18-21(19,20)17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13/h2-11H,12H2,1H3,(H,19,20,21);1-11H,12H2,(H,18,19,20)