2-[(2E)-2-[8-benzamido-1-oxidanylidene-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(2E)-2-[8-benzamido-1-oxidanylidene-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Openeye Name: 2-[(2E)-2-[8-benzamido-1-oxo-3-sulfo-6-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid CAS Name: 2-[(2E)-2-[8-benzamido-1-oxo-3-sulfo-6-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(2E)-2-[8-benzamido-1-oxo-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonic acid Traditional Name: 2-[(N'E)-N'-[8-benzamido-1-keto-3-sulfo-6-(trioxidanylthio)-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonic acid Formula: C27H19N3O14S4 MolecularWeight: 737.71146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)SOOO)C=C(C(=NNC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)SOOO)C=C(/C(=N/NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C27H19N3O14S4/c31-25-23-15(11-16(45-44-43-33)13-20(23)28-27(32)14-5-2-1-3-6-14)12-22(47(37,38)39)24(25)30-29-19-10-9-17-18(26(19)48(40,41)42)7-4-8-21(17)46(34,35)36/h1-13,29,33H,(H,28,32)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b30-24-