3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylsulfanyl)naphthalen-1-yl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylsulfanyl)naphthalen-1-yl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylsulfanyl)-1-naphthyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylthio)-1-naphthalenyl]-6-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylsulfanyl)naphthalen-1-yl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-ethyl-4-[2-ethyl-4-sulfo-7-(trioxidanylthio)-1-naphthyl]-6-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C24H22O12S4 MolecularWeight: 630.68428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CC(=CC2=C1C3=C4C=C(C=CC4=C(C=C3CC)S(=O)(=O)O)SOOO)SOOO)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C2C=CC(=CC2=C1C3=C4C=C(C=CC4=C(C=C3CC)S(=O)(=O)O)SOOO)SOOO)S(=O)(=O)O

InChI

InChI=1S/C24H22O12S4/c1-3-13-9-21(39(27,28)29)17-7-5-15(37-35-33-25)11-19(17)23(13)24-14(4-2)10-22(40(30,31)32)18-8-6-16(12-20(18)24)38-36-34-26/h5-12,25-26H,3-4H2,1-2H3,(H,27,28,29)(H,30,31,32)