4-(2-methylnaphtho[2,1-e][1,3]benzothiazol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-methylnaphtho[2,1-e][1,3]benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(2-methylnaphtho[2,1-e][1,3]benzothiazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(2-methyl-3-naphtho[2,1-e][1,3]benzothiazol-3-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(2-methylnaphtho[2,1-e][1,3]benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(2-methylnaphtho[2,1-e][1,3]benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C20H20NO3S2+ MolecularWeight: 386.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC3=C2C=CC4=CC=CC=C43)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC3=C2C=CC4=CC=CC=C43)CCCCS(=O)(=O)O

InChI

InChI=1S/C20H19NO3S2/c1-14-21(12-4-5-13-26(22,23)24)20-18-9-8-15-6-2-3-7-16(15)17(18)10-11-19(20)25-14/h2-3,6-11H,4-5,12-13H2,1H3/p+1