3-[[4-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]phthalic acid

Systemtic Name: 3-[[4-[(2Z)-2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]phthalic acid Openeye Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]-1-naphthyl]azo]phthalic acid CAS Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]-1-naphthalenyl]azo]phthalic acid IUPAC Name: 3-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]phthalic acid Traditional Name: 3-[[4-[(N'Z)-N'-(7-amino-1-keto-3-sulfo-2-naphthylidene)hydrazino]-1-naphthyl]azo]phthalic acid Formula: C28H19N5O8S MolecularWeight: 585.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=CC(=C3C(=O)O)C(=O)O)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=CC(=C3C(=O)O)C(=O)O)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)S(=O)(=O)O

InChI

InChI=1S/C28H19N5O8S/c29-15-9-8-14-12-23(42(39,40)41)25(26(34)19(14)13-15)33-31-21-11-10-20(16-4-1-2-5-17(16)21)30-32-22-7-3-6-18(27(35)36)24(22)28(37)38/h1-13,31H,29H2,(H,35,36)(H,37,38)(H,39,40,41)/b32-30?,33-25+